smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000019474507 169265217 /nfs/dbraw/zinc/26/52/17/169265217.db2.gz ZUMNXNJFTLMTER-UHFFFAOYSA-N 1 2 234.126 3.199 20 10 BGCDLO CC(C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000019880834 167116577 /nfs/dbraw/zinc/11/65/77/167116577.db2.gz OLUNVYZPMYZIHT-UHFFFAOYSA-N 1 2 234.126 3.197 20 10 BGCDLO CC(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000019883177 167007643 /nfs/dbraw/zinc/00/76/43/167007643.db2.gz BIPIBUZJEJGEPG-UHFFFAOYSA-N 1 2 248.153 3.445 20 10 BGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]CC1CC1 ZINC000019884963 384553013 /nfs/dbraw/zinc/55/30/13/384553013.db2.gz ATRPYHMGJCNYAC-UHFFFAOYSA-N 1 2 246.137 3.199 20 10 BGCDLO CCCC[N@@H+](CC)c1ccc(OC)cc1 ZINC000038524087 711532311 /nfs/dbraw/zinc/53/23/11/711532311.db2.gz YSUVZNSUHVFAAF-UHFFFAOYSA-N 1 2 207.317 3.322 20 10 BGCDLO CCCC[N@H+](CC)c1ccc(OC)cc1 ZINC000038524087 711532309 /nfs/dbraw/zinc/53/23/09/711532309.db2.gz YSUVZNSUHVFAAF-UHFFFAOYSA-N 1 2 207.317 3.322 20 10 BGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CCC1 ZINC000052207260 385242740 /nfs/dbraw/zinc/24/27/40/385242740.db2.gz IVDJJTWRAHOYBH-UHFFFAOYSA-N 1 2 246.137 3.341 20 10 BGCDLO Oc1c(Cl)cccc1C[NH+]1CCCCC1 ZINC000082292789 384222796 /nfs/dbraw/zinc/22/27/96/384222796.db2.gz LPKBPMUXSUJJQZ-UHFFFAOYSA-N 1 2 225.719 3.032 20 10 BGCDLO Cc1cccc(C[NH2+]C2CCCCC2)c1O ZINC000083349990 179089428 /nfs/dbraw/zinc/08/94/28/179089428.db2.gz IPYDCCRVDVBTOY-UHFFFAOYSA-N 1 2 219.328 3.123 20 10 BGCDLO Cc1ccc(O)c(CNc2ccc(C)[nH+]c2)c1 ZINC000083356095 188315824 /nfs/dbraw/zinc/31/58/24/188315824.db2.gz JIMYWVOKWKZJEQ-UHFFFAOYSA-N 1 2 228.295 3.016 20 10 BGCDLO Cc1ccc(NCc2ccc(N(C)C)cc2)c[nH+]1 ZINC000083369662 384766631 /nfs/dbraw/zinc/76/66/31/384766631.db2.gz UTVNCWBJRWJQMP-UHFFFAOYSA-N 1 2 241.338 3.068 20 10 BGCDLO Cc1[nH+]cccc1NCc1ccc(N(C)C)cc1 ZINC000091495602 180227076 /nfs/dbraw/zinc/22/70/76/180227076.db2.gz QOEIIYQUUGKCNC-UHFFFAOYSA-N 1 2 241.338 3.068 20 10 BGCDLO Cc1ccc(O)c(C[N@H+](CC(F)F)C(C)C)c1 ZINC000092045308 345615513 /nfs/dbraw/zinc/61/55/13/345615513.db2.gz WTGZOGMAIDFDKA-UHFFFAOYSA-N 1 2 243.297 3.176 20 10 BGCDLO Cc1ccc(O)c(C[N@@H+](CC(F)F)C(C)C)c1 ZINC000092045308 345615512 /nfs/dbraw/zinc/61/55/12/345615512.db2.gz WTGZOGMAIDFDKA-UHFFFAOYSA-N 1 2 243.297 3.176 20 10 BGCDLO CCC[N@H+](Cc1cc(C)ccc1O)CC(F)F ZINC000092737550 169172731 /nfs/dbraw/zinc/17/27/31/169172731.db2.gz PSQSVCGWGBOQGA-UHFFFAOYSA-N 1 2 243.297 3.178 20 10 BGCDLO CCC[N@@H+](Cc1cc(C)ccc1O)CC(F)F ZINC000092737550 169172729 /nfs/dbraw/zinc/17/27/29/169172729.db2.gz PSQSVCGWGBOQGA-UHFFFAOYSA-N 1 2 243.297 3.178 20 10 BGCDLO Cc1ccc(NCc2ccccc2O)c(C)[nH+]1 ZINC000094664062 644722431 /nfs/dbraw/zinc/72/24/31/644722431.db2.gz FVUVKCIPXZGDNS-UHFFFAOYSA-N 1 2 228.295 3.016 20 10 BGCDLO Cc1ccc(O)c(CNc2ccc(C)[nH+]c2C)c1 ZINC000094664626 384310466 /nfs/dbraw/zinc/31/04/66/384310466.db2.gz ZBBHRQPFIXTWES-UHFFFAOYSA-N 1 2 242.322 3.325 20 10 BGCDLO Oc1c(Cl)cc(Cl)cc1C[NH+]1CCCC1 ZINC000101590283 384446619 /nfs/dbraw/zinc/44/66/19/384446619.db2.gz XAVWCPDQFDPQIN-UHFFFAOYSA-N 1 2 246.137 3.295 20 10 BGCDLO Cc1cc(N(C)C)ccc1CNc1cccc[nH+]1 ZINC000115521861 178094624 /nfs/dbraw/zinc/09/46/24/178094624.db2.gz BBGBOTUTSYMDQP-UHFFFAOYSA-N 1 2 241.338 3.068 20 10 BGCDLO Cc1c[nH+]cc(NCc2cc(Cl)ccc2O)c1 ZINC000119589067 589310311 /nfs/dbraw/zinc/31/03/11/589310311.db2.gz UQYVGRUGLFHFAM-UHFFFAOYSA-N 1 2 248.713 3.361 20 10 BGCDLO Cc1c[nH+]cc(NCc2c(O)cccc2Cl)c1 ZINC000119590720 589310268 /nfs/dbraw/zinc/31/02/68/589310268.db2.gz GAJGSFGRMYEXNY-UHFFFAOYSA-N 1 2 248.713 3.361 20 10 BGCDLO Cc1ccc(O)c(CNc2c[nH+]cc(C)c2)c1 ZINC000119615222 589314296 /nfs/dbraw/zinc/31/42/96/589314296.db2.gz KGXXGNGNDPCEJL-UHFFFAOYSA-N 1 2 228.295 3.016 20 10 BGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccccc1 ZINC000124655955 590071113 /nfs/dbraw/zinc/07/11/13/590071113.db2.gz VHOVIFYMGGJAHI-UHFFFAOYSA-N 1 2 247.725 3.335 20 10 BGCDLO C[N@@H+](C/C(Cl)=C/Cl)Cc1ccccc1O ZINC000126986610 384849173 /nfs/dbraw/zinc/84/91/73/384849173.db2.gz KLDSAROHFLDLPW-POHAHGRESA-N 1 2 246.137 3.143 20 10 BGCDLO C[N@H+](C/C(Cl)=C/Cl)Cc1ccccc1O ZINC000126986610 384849166 /nfs/dbraw/zinc/84/91/66/384849166.db2.gz KLDSAROHFLDLPW-POHAHGRESA-N 1 2 246.137 3.143 20 10 BGCDLO Cc1cc[nH+]cc1NCc1c(O)cccc1Cl ZINC000127329284 590622072 /nfs/dbraw/zinc/62/20/72/590622072.db2.gz DXOCBFNBWWHULV-UHFFFAOYSA-N 1 2 248.713 3.361 20 10 BGCDLO Cc1ccc(NCc2c(O)cccc2Cl)c[nH+]1 ZINC000128040590 590881191 /nfs/dbraw/zinc/88/11/91/590881191.db2.gz KBKKLZNUYRGNHX-UHFFFAOYSA-N 1 2 248.713 3.361 20 10 BGCDLO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000128488569 591092315 /nfs/dbraw/zinc/09/23/15/591092315.db2.gz HRMAQDYBHMRHKE-KOLCDFICSA-N 1 2 239.746 3.324 20 10 BGCDLO C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000128488767 591091147 /nfs/dbraw/zinc/09/11/47/591091147.db2.gz HRMAQDYBHMRHKE-ONGXEEELSA-N 1 2 239.746 3.324 20 10 BGCDLO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000128488981 591092571 /nfs/dbraw/zinc/09/25/71/591092571.db2.gz HRMAQDYBHMRHKE-MWLCHTKSSA-N 1 2 239.746 3.324 20 10 BGCDLO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000128489187 591092985 /nfs/dbraw/zinc/09/29/85/591092985.db2.gz HRMAQDYBHMRHKE-GXSJLCMTSA-N 1 2 239.746 3.324 20 10 BGCDLO CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000132539586 384235596 /nfs/dbraw/zinc/23/55/96/384235596.db2.gz FQQSPAKZADAUPX-UHFFFAOYSA-N 1 2 234.126 3.151 20 10 BGCDLO CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000132539586 384235595 /nfs/dbraw/zinc/23/55/95/384235595.db2.gz FQQSPAKZADAUPX-UHFFFAOYSA-N 1 2 234.126 3.151 20 10 BGCDLO CCC1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000133359973 168479531 /nfs/dbraw/zinc/47/95/31/168479531.db2.gz YOQWEXYTKRKPFP-UHFFFAOYSA-N 1 2 239.746 3.325 20 10 BGCDLO CCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000134902955 591957685 /nfs/dbraw/zinc/95/76/85/591957685.db2.gz LCJIKXWITWDGNE-QMMMGPOBSA-N 1 2 229.270 3.121 20 10 BGCDLO CCCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000134902976 591957646 /nfs/dbraw/zinc/95/76/46/591957646.db2.gz LCJIKXWITWDGNE-MRVPVSSYSA-N 1 2 229.270 3.121 20 10 BGCDLO CC[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000134907220 591958415 /nfs/dbraw/zinc/95/84/15/591958415.db2.gz JNJKFNVXMXJUGI-SFYZADRCSA-N 1 2 229.270 3.120 20 10 BGCDLO CC[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000134907241 591958090 /nfs/dbraw/zinc/95/80/90/591958090.db2.gz JNJKFNVXMXJUGI-YUMQZZPRSA-N 1 2 229.270 3.120 20 10 BGCDLO CC[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000134907261 591958116 /nfs/dbraw/zinc/95/81/16/591958116.db2.gz JNJKFNVXMXJUGI-HTQZYQBOSA-N 1 2 229.270 3.120 20 10 BGCDLO CC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000134907278 591958102 /nfs/dbraw/zinc/95/81/02/591958102.db2.gz JNJKFNVXMXJUGI-JGVFFNPUSA-N 1 2 229.270 3.120 20 10 BGCDLO CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000134910192 170141553 /nfs/dbraw/zinc/14/15/53/170141553.db2.gz ACJZJVLVMQMFRQ-LURJTMIESA-N 1 2 234.126 3.370 20 10 BGCDLO CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000134910210 170159207 /nfs/dbraw/zinc/15/92/07/170159207.db2.gz ACJZJVLVMQMFRQ-ZCFIWIBFSA-N 1 2 234.126 3.370 20 10 BGCDLO Oc1c(Cl)cccc1C[NH2+]C1CCCCC1 ZINC000135750273 592044849 /nfs/dbraw/zinc/04/48/49/592044849.db2.gz VHLCBKIIUKBHCT-UHFFFAOYSA-N 1 2 239.746 3.468 20 10 BGCDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000153775251 385277870 /nfs/dbraw/zinc/27/78/70/385277870.db2.gz XNLFOVPLNFXEAB-UHFFFAOYSA-N 1 2 246.137 3.293 20 10 BGCDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000153775251 385277865 /nfs/dbraw/zinc/27/78/65/385277865.db2.gz XNLFOVPLNFXEAB-UHFFFAOYSA-N 1 2 246.137 3.293 20 10 BGCDLO Oc1cccc(Cl)c1CNc1cccc[nH+]1 ZINC000157429876 641618786 /nfs/dbraw/zinc/61/87/86/641618786.db2.gz PCOLDEZDCCHOIL-UHFFFAOYSA-N 1 2 234.686 3.053 20 10 BGCDLO CC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000159248423 641672704 /nfs/dbraw/zinc/67/27/04/641672704.db2.gz BSZIGHMAKFKOLK-SNVBAGLBSA-N 1 2 239.746 3.278 20 10 BGCDLO CC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000159248423 641672698 /nfs/dbraw/zinc/67/26/98/641672698.db2.gz BSZIGHMAKFKOLK-SNVBAGLBSA-N 1 2 239.746 3.278 20 10 BGCDLO CC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000159248560 641673812 /nfs/dbraw/zinc/67/38/12/641673812.db2.gz BSZIGHMAKFKOLK-JTQLQIEISA-N 1 2 239.746 3.278 20 10 BGCDLO CC[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000159248560 641673808 /nfs/dbraw/zinc/67/38/08/641673808.db2.gz BSZIGHMAKFKOLK-JTQLQIEISA-N 1 2 239.746 3.278 20 10 BGCDLO Cc1ccc(NCc2cccc(C)c2O)c(C)[nH+]1 ZINC000161123903 385937719 /nfs/dbraw/zinc/93/77/19/385937719.db2.gz COGLONAGYNLWIL-UHFFFAOYSA-N 1 2 242.322 3.325 20 10 BGCDLO C[C@@H](C[NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000162529291 633031997 /nfs/dbraw/zinc/03/19/97/633031997.db2.gz MZSSYCVXJROOIL-VIFPVBQESA-N 1 2 239.746 3.181 20 10 BGCDLO C[C@H](C[NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000162529416 633031319 /nfs/dbraw/zinc/03/13/19/633031319.db2.gz MZSSYCVXJROOIL-SECBINFHSA-N 1 2 239.746 3.181 20 10 BGCDLO Oc1c(Cl)cccc1C[NH2+]CCCC1CC1 ZINC000162655620 634260163 /nfs/dbraw/zinc/26/01/63/634260163.db2.gz CWXYHMRFLVFFDK-UHFFFAOYSA-N 1 2 239.746 3.325 20 10 BGCDLO CCC1([NH2+]Cc2cccc(Cl)c2O)CCC1 ZINC000162688312 384668820 /nfs/dbraw/zinc/66/88/20/384668820.db2.gz UQPJEDLWTBFRFM-UHFFFAOYSA-N 1 2 239.746 3.468 20 10 BGCDLO Oc1c(Cl)cccc1C[NH2+]CCC1CCC1 ZINC000162706735 634294958 /nfs/dbraw/zinc/29/49/58/634294958.db2.gz ZBOYBSCNLUALNU-UHFFFAOYSA-N 1 2 239.746 3.325 20 10 BGCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)C1CCC1 ZINC000162721220 633038488 /nfs/dbraw/zinc/03/84/88/633038488.db2.gz KNPKNOQBHIPTHA-VIFPVBQESA-N 1 2 239.746 3.324 20 10 BGCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C1CCC1 ZINC000162721357 634312302 /nfs/dbraw/zinc/31/23/02/634312302.db2.gz KNPKNOQBHIPTHA-SECBINFHSA-N 1 2 239.746 3.324 20 10 BGCDLO Oc1c(Cl)cccc1C[NH+]1CCCCCC1 ZINC000162804711 711725444 /nfs/dbraw/zinc/72/54/44/711725444.db2.gz RRCNMWZRNIWJQP-UHFFFAOYSA-N 1 2 239.746 3.422 20 10 BGCDLO C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000162804975 711725099 /nfs/dbraw/zinc/72/50/99/711725099.db2.gz YSZSUYHWVZMGKQ-SNVBAGLBSA-N 1 2 239.746 3.278 20 10 BGCDLO C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000162804975 711725096 /nfs/dbraw/zinc/72/50/96/711725096.db2.gz YSZSUYHWVZMGKQ-SNVBAGLBSA-N 1 2 239.746 3.278 20 10 BGCDLO C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000162805074 711680463 /nfs/dbraw/zinc/68/04/63/711680463.db2.gz YSZSUYHWVZMGKQ-JTQLQIEISA-N 1 2 239.746 3.278 20 10 BGCDLO C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000162805074 711680461 /nfs/dbraw/zinc/68/04/61/711680461.db2.gz YSZSUYHWVZMGKQ-JTQLQIEISA-N 1 2 239.746 3.278 20 10 BGCDLO CCCC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000162805818 634464797 /nfs/dbraw/zinc/46/47/97/634464797.db2.gz FPSIUVDCRMSZEB-UHFFFAOYSA-N 1 2 227.735 3.278 20 10 BGCDLO CCCC[N@H+](C)Cc1cccc(Cl)c1O ZINC000162805818 634464790 /nfs/dbraw/zinc/46/47/90/634464790.db2.gz FPSIUVDCRMSZEB-UHFFFAOYSA-N 1 2 227.735 3.278 20 10 BGCDLO CC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000162806227 711680371 /nfs/dbraw/zinc/68/03/71/711680371.db2.gz ZDQVLWDQAQAUSU-UHFFFAOYSA-N 1 2 239.746 3.278 20 10 BGCDLO C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000162806640 711680291 /nfs/dbraw/zinc/68/02/91/711680291.db2.gz IFFARFWHTLIQGN-SNVBAGLBSA-N 1 2 239.746 3.420 20 10 BGCDLO C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000162806640 711680289 /nfs/dbraw/zinc/68/02/89/711680289.db2.gz IFFARFWHTLIQGN-SNVBAGLBSA-N 1 2 239.746 3.420 20 10 BGCDLO C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000162806746 711680347 /nfs/dbraw/zinc/68/03/47/711680347.db2.gz IFFARFWHTLIQGN-JTQLQIEISA-N 1 2 239.746 3.420 20 10 BGCDLO C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000162806746 711680346 /nfs/dbraw/zinc/68/03/46/711680346.db2.gz IFFARFWHTLIQGN-JTQLQIEISA-N 1 2 239.746 3.420 20 10 BGCDLO C[N@@H+](Cc1cccc(Cl)c1O)C1CCCC1 ZINC000162807400 384688096 /nfs/dbraw/zinc/68/80/96/384688096.db2.gz GEYDSZDDQYBJMH-UHFFFAOYSA-N 1 2 239.746 3.420 20 10 BGCDLO C[N@H+](Cc1cccc(Cl)c1O)C1CCCC1 ZINC000162807400 384688094 /nfs/dbraw/zinc/68/80/94/384688094.db2.gz GEYDSZDDQYBJMH-UHFFFAOYSA-N 1 2 239.746 3.420 20 10 BGCDLO CC[N@@H+](Cc1cccc(Cl)c1O)C(C)C ZINC000162808360 350434041 /nfs/dbraw/zinc/43/40/41/350434041.db2.gz WOYOMBPVPSVRND-UHFFFAOYSA-N 1 2 227.735 3.276 20 10 BGCDLO CC[N@H+](Cc1cccc(Cl)c1O)C(C)C ZINC000162808360 350434038 /nfs/dbraw/zinc/43/40/38/350434038.db2.gz WOYOMBPVPSVRND-UHFFFAOYSA-N 1 2 227.735 3.276 20 10 BGCDLO CC(C)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000162809286 361364922 /nfs/dbraw/zinc/36/49/22/361364922.db2.gz DQWIVXAFNMRDPH-UHFFFAOYSA-N 1 2 227.735 3.133 20 10 BGCDLO CC(C)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000162809286 361364919 /nfs/dbraw/zinc/36/49/19/361364919.db2.gz DQWIVXAFNMRDPH-UHFFFAOYSA-N 1 2 227.735 3.133 20 10 BGCDLO CC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000162816046 633040775 /nfs/dbraw/zinc/04/07/75/633040775.db2.gz NMXXVJPYDCOCGX-LLVKDONJSA-N 1 2 239.746 3.420 20 10 BGCDLO CC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000162816046 633040769 /nfs/dbraw/zinc/04/07/69/633040769.db2.gz NMXXVJPYDCOCGX-LLVKDONJSA-N 1 2 239.746 3.420 20 10 BGCDLO CC[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000162816175 634566590 /nfs/dbraw/zinc/56/65/90/634566590.db2.gz NMXXVJPYDCOCGX-NSHDSACASA-N 1 2 239.746 3.420 20 10 BGCDLO CC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000162816175 634566582 /nfs/dbraw/zinc/56/65/82/634566582.db2.gz NMXXVJPYDCOCGX-NSHDSACASA-N 1 2 239.746 3.420 20 10 BGCDLO CC1(C)CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000162817790 634571957 /nfs/dbraw/zinc/57/19/57/634571957.db2.gz ZLNJENBCYWMZQY-UHFFFAOYSA-N 1 2 239.746 3.420 20 10 BGCDLO CC1(C)CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000162817790 634571947 /nfs/dbraw/zinc/57/19/47/634571947.db2.gz ZLNJENBCYWMZQY-UHFFFAOYSA-N 1 2 239.746 3.420 20 10 BGCDLO C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000162819544 176110701 /nfs/dbraw/zinc/11/07/01/176110701.db2.gz LUPBBVDMSOLEJY-SECBINFHSA-N 1 2 225.719 3.030 20 10 BGCDLO C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000162819544 176110699 /nfs/dbraw/zinc/11/06/99/176110699.db2.gz LUPBBVDMSOLEJY-SECBINFHSA-N 1 2 225.719 3.030 20 10 BGCDLO C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000162819670 177110649 /nfs/dbraw/zinc/11/06/49/177110649.db2.gz LUPBBVDMSOLEJY-VIFPVBQESA-N 1 2 225.719 3.030 20 10 BGCDLO C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000162819670 177110648 /nfs/dbraw/zinc/11/06/48/177110648.db2.gz LUPBBVDMSOLEJY-VIFPVBQESA-N 1 2 225.719 3.030 20 10 BGCDLO CC1(C)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000162819959 634576209 /nfs/dbraw/zinc/57/62/09/634576209.db2.gz PUDHMROHVMSUCX-UHFFFAOYSA-N 1 2 239.746 3.278 20 10 BGCDLO CC1(C)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000162819959 634576204 /nfs/dbraw/zinc/57/62/04/634576204.db2.gz PUDHMROHVMSUCX-UHFFFAOYSA-N 1 2 239.746 3.278 20 10 BGCDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1C ZINC000162820510 634578653 /nfs/dbraw/zinc/57/86/53/634578653.db2.gz SZXNOIPXGLYHRT-AOOOYVTPSA-N 1 2 239.746 3.133 20 10 BGCDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1C ZINC000162820510 634578644 /nfs/dbraw/zinc/57/86/44/634578644.db2.gz SZXNOIPXGLYHRT-AOOOYVTPSA-N 1 2 239.746 3.133 20 10 BGCDLO C[C@H]1C[NH+](Cc2cccc(Cl)c2O)C[C@@H]1C ZINC000162820641 633040847 /nfs/dbraw/zinc/04/08/47/633040847.db2.gz SZXNOIPXGLYHRT-UWVGGRQHSA-N 1 2 239.746 3.133 20 10 BGCDLO C[C@@H]1C[NH+](Cc2cccc(Cl)c2O)C[C@H]1C ZINC000162820776 633039346 /nfs/dbraw/zinc/03/93/46/633039346.db2.gz SZXNOIPXGLYHRT-NXEZZACHSA-N 1 2 239.746 3.133 20 10 BGCDLO Oc1c(Cl)cccc1C[NH2+]C1CCCC1 ZINC000162822043 635129331 /nfs/dbraw/zinc/12/93/31/635129331.db2.gz LOQIXTACQBOKQS-UHFFFAOYSA-N 1 2 225.719 3.078 20 10 BGCDLO CCC(CC)[NH2+]Cc1cccc(Cl)c1O ZINC000162822308 168390257 /nfs/dbraw/zinc/39/02/57/168390257.db2.gz RERGBSRDYPAAIS-UHFFFAOYSA-N 1 2 227.735 3.324 20 10 BGCDLO CC(C)CC[NH2+]Cc1cccc(Cl)c1O ZINC000162822582 397959066 /nfs/dbraw/zinc/95/90/66/397959066.db2.gz AGBANEHBSMGQIO-UHFFFAOYSA-N 1 2 227.735 3.181 20 10 BGCDLO CCCCC[NH2+]Cc1cccc(Cl)c1O ZINC000162823276 711809971 /nfs/dbraw/zinc/80/99/71/711809971.db2.gz AAQKJZJXNPVYHA-UHFFFAOYSA-N 1 2 227.735 3.325 20 10 BGCDLO CC(C)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162823993 167381779 /nfs/dbraw/zinc/38/17/79/167381779.db2.gz RVYBYRKAIXGXKZ-SECBINFHSA-N 1 2 227.735 3.180 20 10 BGCDLO CC(C)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162824112 397958886 /nfs/dbraw/zinc/95/88/86/397958886.db2.gz RVYBYRKAIXGXKZ-VIFPVBQESA-N 1 2 227.735 3.180 20 10 BGCDLO CCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162824656 711810006 /nfs/dbraw/zinc/81/00/06/711810006.db2.gz CDOKSBVONUDMIG-SECBINFHSA-N 1 2 227.735 3.324 20 10 BGCDLO CCC[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162824792 635134137 /nfs/dbraw/zinc/13/41/37/635134137.db2.gz CDOKSBVONUDMIG-VIFPVBQESA-N 1 2 227.735 3.324 20 10 BGCDLO CC1([NH2+]Cc2cccc(Cl)c2O)CCCC1 ZINC000162825808 168064237 /nfs/dbraw/zinc/06/42/37/168064237.db2.gz RNZMLXLFPDBUPX-UHFFFAOYSA-N 1 2 239.746 3.468 20 10 BGCDLO CC(C)(C)C[NH2+]Cc1cccc(Cl)c1O ZINC000162831426 397959042 /nfs/dbraw/zinc/95/90/42/397959042.db2.gz ROSVNJCRTMIYFC-UHFFFAOYSA-N 1 2 227.735 3.181 20 10 BGCDLO CCC(C)(C)[NH2+]Cc1cccc(Cl)c1O ZINC000162834266 168299797 /nfs/dbraw/zinc/29/97/97/168299797.db2.gz AXSGFAVVFMRAMN-UHFFFAOYSA-N 1 2 227.735 3.324 20 10 BGCDLO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000162862685 176131837 /nfs/dbraw/zinc/13/18/37/176131837.db2.gz UUHXJNRSODKFSG-SKDRFNHKSA-N 1 2 239.746 3.324 20 10 BGCDLO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000162862832 177127014 /nfs/dbraw/zinc/12/70/14/177127014.db2.gz UUHXJNRSODKFSG-CABZTGNLSA-N 1 2 239.746 3.324 20 10 BGCDLO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000162862959 176150586 /nfs/dbraw/zinc/15/05/86/176150586.db2.gz UUHXJNRSODKFSG-BXKDBHETSA-N 1 2 239.746 3.324 20 10 BGCDLO C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000162863080 177142602 /nfs/dbraw/zinc/14/26/02/177142602.db2.gz UUHXJNRSODKFSG-JOYOIKCWSA-N 1 2 239.746 3.324 20 10 BGCDLO C[C@@H](CC1CC1)[NH2+]Cc1cccc(Cl)c1O ZINC000162864535 635144698 /nfs/dbraw/zinc/14/46/98/635144698.db2.gz RPPLCYBATXIHRF-VIFPVBQESA-N 1 2 239.746 3.324 20 10 BGCDLO C[C@H](CC1CC1)[NH2+]Cc1cccc(Cl)c1O ZINC000162864648 633041422 /nfs/dbraw/zinc/04/14/22/633041422.db2.gz RPPLCYBATXIHRF-SECBINFHSA-N 1 2 239.746 3.324 20 10 BGCDLO CC(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)c1O ZINC000162866178 635144546 /nfs/dbraw/zinc/14/45/46/635144546.db2.gz HJWSPLSTZCCGIW-JTQLQIEISA-N 1 2 241.762 3.427 20 10 BGCDLO CC(C)[C@H](C)C[NH2+]Cc1cccc(Cl)c1O ZINC000162866282 635145049 /nfs/dbraw/zinc/14/50/49/635145049.db2.gz HJWSPLSTZCCGIW-SNVBAGLBSA-N 1 2 241.762 3.427 20 10 BGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CC=CCC1 ZINC000162866993 384699811 /nfs/dbraw/zinc/69/98/11/384699811.db2.gz AITDVQXUHMUCDB-NSHDSACASA-N 1 2 237.730 3.244 20 10 BGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CC=CCC1 ZINC000162867106 191118566 /nfs/dbraw/zinc/11/85/66/191118566.db2.gz AITDVQXUHMUCDB-LLVKDONJSA-N 1 2 237.730 3.244 20 10 BGCDLO CC1([NH2+]Cc2cccc(Cl)c2O)CCC1 ZINC000162980529 168064178 /nfs/dbraw/zinc/06/41/78/168064178.db2.gz OUPQZPQQVUJXBP-UHFFFAOYSA-N 1 2 225.719 3.078 20 10 BGCDLO CC[C@@H](C)C[NH2+]Cc1cccc(Cl)c1O ZINC000165162535 640543997 /nfs/dbraw/zinc/54/39/97/640543997.db2.gz ARJHRAYKTGAETC-SECBINFHSA-N 1 2 227.735 3.181 20 10 BGCDLO CC[C@H](C)C[NH2+]Cc1cccc(Cl)c1O ZINC000165162653 640542570 /nfs/dbraw/zinc/54/25/70/640542570.db2.gz ARJHRAYKTGAETC-VIFPVBQESA-N 1 2 227.735 3.181 20 10 BGCDLO CCCC[N@@H+](CC)Cc1cccc(F)c1O ZINC000165408988 633091334 /nfs/dbraw/zinc/09/13/34/633091334.db2.gz DWPPCWLCMJQJPD-UHFFFAOYSA-N 1 2 225.307 3.153 20 10 BGCDLO CCCC[N@H+](CC)Cc1cccc(F)c1O ZINC000165408988 633091329 /nfs/dbraw/zinc/09/13/29/633091329.db2.gz DWPPCWLCMJQJPD-UHFFFAOYSA-N 1 2 225.307 3.153 20 10 BGCDLO CCC[NH+](CCC)Cc1cccc(F)c1O ZINC000165410562 640569950 /nfs/dbraw/zinc/56/99/50/640569950.db2.gz CPWIYSZJOSUIGT-UHFFFAOYSA-N 1 2 225.307 3.153 20 10 BGCDLO CC(C)[C@@H](C)[N@@H+](C)Cc1cccc(F)c1O ZINC000165414355 167367911 /nfs/dbraw/zinc/36/79/11/167367911.db2.gz ZBBMKTMKMWUGGJ-SNVBAGLBSA-N 1 2 225.307 3.008 20 10 BGCDLO CC(C)[C@@H](C)[N@H+](C)Cc1cccc(F)c1O ZINC000165414355 167367908 /nfs/dbraw/zinc/36/79/08/167367908.db2.gz ZBBMKTMKMWUGGJ-SNVBAGLBSA-N 1 2 225.307 3.008 20 10 BGCDLO CC(C)[C@H](C)[N@@H+](C)Cc1cccc(F)c1O ZINC000165414498 187303095 /nfs/dbraw/zinc/30/30/95/187303095.db2.gz ZBBMKTMKMWUGGJ-JTQLQIEISA-N 1 2 225.307 3.008 20 10 BGCDLO CC(C)[C@H](C)[N@H+](C)Cc1cccc(F)c1O ZINC000165414498 187303092 /nfs/dbraw/zinc/30/30/92/187303092.db2.gz ZBBMKTMKMWUGGJ-JTQLQIEISA-N 1 2 225.307 3.008 20 10 BGCDLO C[N@@H+](Cc1cccc(F)c1O)CC(C)(C)C ZINC000165417027 385123437 /nfs/dbraw/zinc/12/34/37/385123437.db2.gz YRXQPDXUMXXGBJ-UHFFFAOYSA-N 1 2 225.307 3.009 20 10 BGCDLO C[N@H+](Cc1cccc(F)c1O)CC(C)(C)C ZINC000165417027 385123434 /nfs/dbraw/zinc/12/34/34/385123434.db2.gz YRXQPDXUMXXGBJ-UHFFFAOYSA-N 1 2 225.307 3.009 20 10 BGCDLO CC[N@@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000179684038 346992624 /nfs/dbraw/zinc/99/26/24/346992624.db2.gz BGRXDFTZGBLRDP-UHFFFAOYSA-N 1 2 225.719 3.030 20 10 BGCDLO CC[N@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000179684038 346992623 /nfs/dbraw/zinc/99/26/23/346992623.db2.gz BGRXDFTZGBLRDP-UHFFFAOYSA-N 1 2 225.719 3.030 20 10 BGCDLO C[C@@H](C1CC1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000179714894 385485648 /nfs/dbraw/zinc/48/56/48/385485648.db2.gz JEZGKWGUELGXDU-VIFPVBQESA-N 1 2 239.746 3.276 20 10 BGCDLO C[C@@H](C1CC1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000179714894 385485646 /nfs/dbraw/zinc/48/56/46/385485646.db2.gz JEZGKWGUELGXDU-VIFPVBQESA-N 1 2 239.746 3.276 20 10 BGCDLO C[C@H](C1CC1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000179714905 385486592 /nfs/dbraw/zinc/48/65/92/385486592.db2.gz JEZGKWGUELGXDU-SECBINFHSA-N 1 2 239.746 3.276 20 10 BGCDLO C[C@H](C1CC1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000179714905 385486589 /nfs/dbraw/zinc/48/65/89/385486589.db2.gz JEZGKWGUELGXDU-SECBINFHSA-N 1 2 239.746 3.276 20 10 BGCDLO CC(C)[N@@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000179725751 385487389 /nfs/dbraw/zinc/48/73/89/385487389.db2.gz IMWFUPHVJZMEDD-UHFFFAOYSA-N 1 2 239.746 3.418 20 10 BGCDLO CC(C)[N@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000179725751 385487388 /nfs/dbraw/zinc/48/73/88/385487388.db2.gz IMWFUPHVJZMEDD-UHFFFAOYSA-N 1 2 239.746 3.418 20 10 BGCDLO CCC[N@H+](Cc1cccc(C)c1O)CC(F)F ZINC000179943099 169175475 /nfs/dbraw/zinc/17/54/75/169175475.db2.gz DZBDNCSBNDVTHC-UHFFFAOYSA-N 1 2 243.297 3.178 20 10 BGCDLO CCC[N@@H+](Cc1cccc(C)c1O)CC(F)F ZINC000179943099 169175473 /nfs/dbraw/zinc/17/54/73/169175473.db2.gz DZBDNCSBNDVTHC-UHFFFAOYSA-N 1 2 243.297 3.178 20 10 BGCDLO CCC[N@H+](Cc1cc(F)ccc1O)CC(F)F ZINC000180022497 169172775 /nfs/dbraw/zinc/17/27/75/169172775.db2.gz GTOASTRUMJQUNJ-UHFFFAOYSA-N 1 2 247.260 3.008 20 10 BGCDLO CCC[N@@H+](Cc1cc(F)ccc1O)CC(F)F ZINC000180022497 169172773 /nfs/dbraw/zinc/17/27/73/169172773.db2.gz GTOASTRUMJQUNJ-UHFFFAOYSA-N 1 2 247.260 3.008 20 10 BGCDLO CC[N@H+](Cc1cccc(Cl)c1O)CC1CC1 ZINC000180232909 347019052 /nfs/dbraw/zinc/01/90/52/347019052.db2.gz QRGQERTYRXEASV-UHFFFAOYSA-N 1 2 239.746 3.278 20 10 BGCDLO CC[N@@H+](Cc1cccc(Cl)c1O)CC1CC1 ZINC000180232909 347019038 /nfs/dbraw/zinc/01/90/38/347019038.db2.gz QRGQERTYRXEASV-UHFFFAOYSA-N 1 2 239.746 3.278 20 10 BGCDLO C[N@@H+](Cc1cccc(Cl)c1O)C1CCC1 ZINC000180295369 385518397 /nfs/dbraw/zinc/51/83/97/385518397.db2.gz DYCGUZNWCHSZDD-UHFFFAOYSA-N 1 2 225.719 3.030 20 10 BGCDLO C[N@H+](Cc1cccc(Cl)c1O)C1CCC1 ZINC000180295369 385518394 /nfs/dbraw/zinc/51/83/94/385518394.db2.gz DYCGUZNWCHSZDD-UHFFFAOYSA-N 1 2 225.719 3.030 20 10 BGCDLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(Cl)c1O ZINC000180714579 642808985 /nfs/dbraw/zinc/80/89/85/642808985.db2.gz HNUZEXFLQKNPBA-AOOOYVTPSA-N 1 2 239.746 3.418 20 10 BGCDLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(Cl)c1O ZINC000180714579 642808982 /nfs/dbraw/zinc/80/89/82/642808982.db2.gz HNUZEXFLQKNPBA-AOOOYVTPSA-N 1 2 239.746 3.418 20 10 BGCDLO C[C@H]1CC[C@H](C)[NH+]1Cc1cccc(Cl)c1O ZINC000180714597 642808974 /nfs/dbraw/zinc/80/89/74/642808974.db2.gz HNUZEXFLQKNPBA-UWVGGRQHSA-N 1 2 239.746 3.418 20 10 BGCDLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc(Cl)c1O ZINC000180714614 642807136 /nfs/dbraw/zinc/80/71/36/642807136.db2.gz HNUZEXFLQKNPBA-NXEZZACHSA-N 1 2 239.746 3.418 20 10 BGCDLO C[N@@H+](CCC1CC1)Cc1cccc(Cl)c1O ZINC000180767130 385545896 /nfs/dbraw/zinc/54/58/96/385545896.db2.gz GJBNBZWVLBOSDO-UHFFFAOYSA-N 1 2 239.746 3.278 20 10 BGCDLO C[N@H+](CCC1CC1)Cc1cccc(Cl)c1O ZINC000180767130 385545892 /nfs/dbraw/zinc/54/58/92/385545892.db2.gz GJBNBZWVLBOSDO-UHFFFAOYSA-N 1 2 239.746 3.278 20 10 BGCDLO CC[N@H+](Cc1cc(C)c(C)cc1O)CC(F)F ZINC000184086737 384563360 /nfs/dbraw/zinc/56/33/60/384563360.db2.gz AXQRUOWYLQGHBT-UHFFFAOYSA-N 1 2 243.297 3.096 20 10 BGCDLO CC[N@@H+](Cc1cc(C)c(C)cc1O)CC(F)F ZINC000184086737 384563356 /nfs/dbraw/zinc/56/33/56/384563356.db2.gz AXQRUOWYLQGHBT-UHFFFAOYSA-N 1 2 243.297 3.096 20 10 BGCDLO CC[N@H+](Cc1cccc(Cl)c1O)CC(F)F ZINC000184092162 347916247 /nfs/dbraw/zinc/91/62/47/347916247.db2.gz SMDYBJOGDDQLNF-UHFFFAOYSA-N 1 2 249.688 3.133 20 10 BGCDLO CC[N@@H+](Cc1cccc(Cl)c1O)CC(F)F ZINC000184092162 347916244 /nfs/dbraw/zinc/91/62/44/347916244.db2.gz SMDYBJOGDDQLNF-UHFFFAOYSA-N 1 2 249.688 3.133 20 10 BGCDLO Cc1cc(O)c(CNc2cc[nH+]cc2F)cc1C ZINC000186426505 634073607 /nfs/dbraw/zinc/07/36/07/634073607.db2.gz PGMVNCXHLDPHEG-UHFFFAOYSA-N 1 2 246.285 3.155 20 10 BGCDLO C[C@H]([NH2+]CC1CCC1)c1ccc(F)c(F)c1O ZINC000187668174 384971414 /nfs/dbraw/zinc/97/14/14/384971414.db2.gz NODQABJEBNORFQ-QMMMGPOBSA-N 1 2 241.281 3.121 20 10 BGCDLO C[C@@H]([NH2+]CC1CCC1)c1ccc(F)c(F)c1O ZINC000187668194 384971830 /nfs/dbraw/zinc/97/18/30/384971830.db2.gz NODQABJEBNORFQ-MRVPVSSYSA-N 1 2 241.281 3.121 20 10 BGCDLO CC(C)=CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000188445063 188349120 /nfs/dbraw/zinc/34/91/20/188349120.db2.gz MVCKDFNZEHLQLO-VIFPVBQESA-N 1 2 241.281 3.287 20 10 BGCDLO CC(C)=CC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000188445090 397883477 /nfs/dbraw/zinc/88/34/77/397883477.db2.gz MVCKDFNZEHLQLO-SECBINFHSA-N 1 2 241.281 3.287 20 10 BGCDLO CCC(C)(C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190915022 635710808 /nfs/dbraw/zinc/71/08/08/635710808.db2.gz YHHXDORHVAKQMR-UHFFFAOYSA-N 1 2 245.725 3.463 20 10 BGCDLO CCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191180483 355337766 /nfs/dbraw/zinc/33/77/66/355337766.db2.gz KPAMUZREIOCONT-QMMMGPOBSA-N 1 2 229.270 3.121 20 10 BGCDLO CCCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191180499 385289244 /nfs/dbraw/zinc/28/92/44/385289244.db2.gz KPAMUZREIOCONT-MRVPVSSYSA-N 1 2 229.270 3.121 20 10 BGCDLO C[C@H]([NH2+]C1CCCC1)c1ccc(F)c(F)c1O ZINC000191180781 176829735 /nfs/dbraw/zinc/82/97/35/176829735.db2.gz ZNEARLDDOSRHTB-QMMMGPOBSA-N 1 2 241.281 3.264 20 10 BGCDLO C[C@@H]([NH2+]C1CCCC1)c1ccc(F)c(F)c1O ZINC000191180801 385290430 /nfs/dbraw/zinc/29/04/30/385290430.db2.gz ZNEARLDDOSRHTB-MRVPVSSYSA-N 1 2 241.281 3.264 20 10 BGCDLO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191181829 355341299 /nfs/dbraw/zinc/34/12/99/355341299.db2.gz KRQVELDTRLWWCJ-SFYZADRCSA-N 1 2 229.270 3.120 20 10 BGCDLO CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191181842 355341079 /nfs/dbraw/zinc/34/10/79/355341079.db2.gz KRQVELDTRLWWCJ-YUMQZZPRSA-N 1 2 229.270 3.120 20 10 BGCDLO CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191181854 386772109 /nfs/dbraw/zinc/77/21/09/386772109.db2.gz KRQVELDTRLWWCJ-HTQZYQBOSA-N 1 2 229.270 3.120 20 10 BGCDLO CC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191181873 355341534 /nfs/dbraw/zinc/34/15/34/355341534.db2.gz KRQVELDTRLWWCJ-JGVFFNPUSA-N 1 2 229.270 3.120 20 10 BGCDLO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191186731 167383671 /nfs/dbraw/zinc/38/36/71/167383671.db2.gz WYDRQIBYFCEXNL-BDAKNGLRSA-N 1 2 243.297 3.366 20 10 BGCDLO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191186748 188003840 /nfs/dbraw/zinc/00/38/40/188003840.db2.gz WYDRQIBYFCEXNL-IUCAKERBSA-N 1 2 243.297 3.366 20 10 BGCDLO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191186763 167385767 /nfs/dbraw/zinc/38/57/67/167385767.db2.gz WYDRQIBYFCEXNL-RKDXNWHRSA-N 1 2 243.297 3.366 20 10 BGCDLO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191186779 385290910 /nfs/dbraw/zinc/29/09/10/385290910.db2.gz WYDRQIBYFCEXNL-DTWKUNHWSA-N 1 2 243.297 3.366 20 10 BGCDLO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)c(F)c1O ZINC000191187254 385288632 /nfs/dbraw/zinc/28/86/32/385288632.db2.gz CWVUBDCVXODDIN-YUMQZZPRSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)c(F)c1O ZINC000191187272 385290919 /nfs/dbraw/zinc/29/09/19/385290919.db2.gz CWVUBDCVXODDIN-JGVFFNPUSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)C1CC1 ZINC000191187287 385290175 /nfs/dbraw/zinc/29/01/75/385290175.db2.gz CWVUBDCVXODDIN-SFYZADRCSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(F)c(F)c1O ZINC000191187302 385288457 /nfs/dbraw/zinc/28/84/57/385288457.db2.gz CWVUBDCVXODDIN-HTQZYQBOSA-N 1 2 241.281 3.120 20 10 BGCDLO CC(C)=CC[NH2+]Cc1cccc(Cl)c1O ZINC000191615055 187229103 /nfs/dbraw/zinc/22/91/03/187229103.db2.gz CRGKDILERIDLNA-UHFFFAOYSA-N 1 2 225.719 3.101 20 10 BGCDLO CC1(C)C[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000224807468 640642822 /nfs/dbraw/zinc/64/28/22/640642822.db2.gz PKBOSUDGURLBAY-SNVBAGLBSA-N 1 2 239.746 3.181 20 10 BGCDLO CC1(C)C[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000224807519 640643498 /nfs/dbraw/zinc/64/34/98/640643498.db2.gz PKBOSUDGURLBAY-JTQLQIEISA-N 1 2 239.746 3.181 20 10 BGCDLO CC(C)([NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000224826175 635396056 /nfs/dbraw/zinc/39/60/56/635396056.db2.gz IIEVKECPOMGNFU-UHFFFAOYSA-N 1 2 239.746 3.324 20 10 BGCDLO Cc1ccc(NCc2cc(F)ccc2O)c(C)[nH+]1 ZINC000226617360 640780107 /nfs/dbraw/zinc/78/01/07/640780107.db2.gz QHQXZGKEIFNMOO-UHFFFAOYSA-N 1 2 246.285 3.155 20 10 BGCDLO Cc1c[nH+]cc(NCc2ccc(N(C)C)cc2)c1 ZINC000227603126 386494834 /nfs/dbraw/zinc/49/48/34/386494834.db2.gz HWXYPAXMPGWYTG-UHFFFAOYSA-N 1 2 241.338 3.068 20 10 BGCDLO C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)[C@H]1C ZINC000246015469 644558576 /nfs/dbraw/zinc/55/85/76/644558576.db2.gz ZDQOGQDCSGFBPU-UWVGGRQHSA-N 1 2 239.746 3.276 20 10 BGCDLO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)[C@H]1C ZINC000246015469 644558569 /nfs/dbraw/zinc/55/85/69/644558569.db2.gz ZDQOGQDCSGFBPU-UWVGGRQHSA-N 1 2 239.746 3.276 20 10 BGCDLO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)[C@H]1C ZINC000246015473 644558423 /nfs/dbraw/zinc/55/84/23/644558423.db2.gz ZDQOGQDCSGFBPU-ZJUUUORDSA-N 1 2 239.746 3.276 20 10 BGCDLO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)[C@H]1C ZINC000246015473 644558417 /nfs/dbraw/zinc/55/84/17/644558417.db2.gz ZDQOGQDCSGFBPU-ZJUUUORDSA-N 1 2 239.746 3.276 20 10 BGCDLO CC1=CC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000271785551 168114627 /nfs/dbraw/zinc/11/46/27/168114627.db2.gz IGPMWXCGSDVTHS-UHFFFAOYSA-N 1 2 237.730 3.198 20 10 BGCDLO CC1=CC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000271785551 168114625 /nfs/dbraw/zinc/11/46/25/168114625.db2.gz IGPMWXCGSDVTHS-UHFFFAOYSA-N 1 2 237.730 3.198 20 10 BGCDLO Cc1cccc(C[N@H+](CC(F)F)C(C)C)c1O ZINC000271866190 179071418 /nfs/dbraw/zinc/07/14/18/179071418.db2.gz RDBQFUDDTFWSAM-UHFFFAOYSA-N 1 2 243.297 3.176 20 10 BGCDLO Cc1cccc(C[N@@H+](CC(F)F)C(C)C)c1O ZINC000271866190 179071416 /nfs/dbraw/zinc/07/14/16/179071416.db2.gz RDBQFUDDTFWSAM-UHFFFAOYSA-N 1 2 243.297 3.176 20 10 BGCDLO Oc1cccc(Cl)c1C[N@H+]1CCC=C(F)C1 ZINC000272740364 183292339 /nfs/dbraw/zinc/29/23/39/183292339.db2.gz IGSZVHLLOZAAOC-UHFFFAOYSA-N 1 2 241.693 3.105 20 10 BGCDLO Oc1cccc(Cl)c1C[N@@H+]1CCC=C(F)C1 ZINC000272740364 183292337 /nfs/dbraw/zinc/29/23/37/183292337.db2.gz IGSZVHLLOZAAOC-UHFFFAOYSA-N 1 2 241.693 3.105 20 10 BGCDLO Oc1c(Cl)cccc1C[N@H+]1CCC=C(F)C1 ZINC000272875306 187337319 /nfs/dbraw/zinc/33/73/19/187337319.db2.gz WVMCQFKMQJLVDO-UHFFFAOYSA-N 1 2 241.693 3.105 20 10 BGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC=C(F)C1 ZINC000272875306 187337317 /nfs/dbraw/zinc/33/73/17/187337317.db2.gz WVMCQFKMQJLVDO-UHFFFAOYSA-N 1 2 241.693 3.105 20 10 BGCDLO C[C@H]([NH2+]C1CC(C)C1)c1ccc(F)c(F)c1O ZINC000276863343 168146453 /nfs/dbraw/zinc/14/64/53/168146453.db2.gz CXHHBQPJQIWWFL-MGURRDGZSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(F)c(F)c1O ZINC000276863351 168148428 /nfs/dbraw/zinc/14/84/28/168148428.db2.gz CXHHBQPJQIWWFL-QJAFJHJLSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(F)c(F)c1O ZINC000276925777 386392318 /nfs/dbraw/zinc/39/23/18/386392318.db2.gz NDXCCWUSXYZGSJ-GMSGAONNSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(F)c(F)c1O ZINC000276925778 386391092 /nfs/dbraw/zinc/39/10/92/386391092.db2.gz NDXCCWUSXYZGSJ-OIBJUYFYSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(F)c(F)c1O ZINC000276925779 386391415 /nfs/dbraw/zinc/39/14/15/386391415.db2.gz NDXCCWUSXYZGSJ-XCBNKYQSSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(F)c(F)c1O ZINC000276925780 386391015 /nfs/dbraw/zinc/39/10/15/386391015.db2.gz NDXCCWUSXYZGSJ-XVKPBYJWSA-N 1 2 241.281 3.120 20 10 BGCDLO CC1(CC[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000280484516 168020143 /nfs/dbraw/zinc/02/01/43/168020143.db2.gz DXZHIRIEVZYGBJ-UHFFFAOYSA-N 1 2 239.746 3.325 20 10 BGCDLO CC1=CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000281862772 168100388 /nfs/dbraw/zinc/10/03/88/168100388.db2.gz UBFVPLWFIPMEKG-UHFFFAOYSA-N 1 2 237.730 3.198 20 10 BGCDLO CC1=CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000281862772 168100383 /nfs/dbraw/zinc/10/03/83/168100383.db2.gz UBFVPLWFIPMEKG-UHFFFAOYSA-N 1 2 237.730 3.198 20 10 BGCDLO CC[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000286995772 170143771 /nfs/dbraw/zinc/14/37/71/170143771.db2.gz PIVWIXLESJPZDR-JTQLQIEISA-N 1 2 213.708 3.106 20 10 BGCDLO CC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000286995778 170161467 /nfs/dbraw/zinc/16/14/67/170161467.db2.gz PIVWIXLESJPZDR-SNVBAGLBSA-N 1 2 213.708 3.106 20 10 BGCDLO CC[C@@H]([NH2+]C1CC1)c1cccc(Cl)c1O ZINC000287034823 387352655 /nfs/dbraw/zinc/35/26/55/387352655.db2.gz RTAHVCNHVPNXSM-LLVKDONJSA-N 1 2 225.719 3.249 20 10 BGCDLO CC[C@H]([NH2+]C1CC1)c1cccc(Cl)c1O ZINC000287034829 171515728 /nfs/dbraw/zinc/51/57/28/171515728.db2.gz RTAHVCNHVPNXSM-NSHDSACASA-N 1 2 225.719 3.249 20 10 BGCDLO CC[C@H]([NH2+]CCF)c1cccc(Cl)c1O ZINC000287219851 387384164 /nfs/dbraw/zinc/38/41/64/387384164.db2.gz XMWMUYUCMCSMHD-JTQLQIEISA-N 1 2 231.698 3.056 20 10 BGCDLO CC[C@@H]([NH2+]CCF)c1cccc(Cl)c1O ZINC000287219854 387386352 /nfs/dbraw/zinc/38/63/52/387386352.db2.gz XMWMUYUCMCSMHD-SNVBAGLBSA-N 1 2 231.698 3.056 20 10 BGCDLO CC[C@@H]([NH2+]CC1CC1)c1cccc(Cl)c1O ZINC000287857759 387523880 /nfs/dbraw/zinc/52/38/80/387523880.db2.gz XEFIZQDWRUPQDS-GFCCVEGCSA-N 1 2 239.746 3.496 20 10 BGCDLO CC[C@H]([NH2+]CC1CC1)c1cccc(Cl)c1O ZINC000287857762 387523859 /nfs/dbraw/zinc/52/38/59/387523859.db2.gz XEFIZQDWRUPQDS-LBPRGKRZSA-N 1 2 239.746 3.496 20 10 BGCDLO CC1(C)CC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000289378277 385185544 /nfs/dbraw/zinc/18/55/44/385185544.db2.gz BNKWBBSUBIQDSP-LLVKDONJSA-N 1 2 239.746 3.324 20 10 BGCDLO CC1(C)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000289378279 346258613 /nfs/dbraw/zinc/25/86/13/346258613.db2.gz BNKWBBSUBIQDSP-NSHDSACASA-N 1 2 239.746 3.324 20 10 BGCDLO CC[C@H]1CC[N@H+]1Cc1cccc(Cl)c1O ZINC000292859561 386740387 /nfs/dbraw/zinc/74/03/87/386740387.db2.gz VEOAOTGRQXZSDW-JTQLQIEISA-N 1 2 225.719 3.030 20 10 BGCDLO CC[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000292859561 386740379 /nfs/dbraw/zinc/74/03/79/386740379.db2.gz VEOAOTGRQXZSDW-JTQLQIEISA-N 1 2 225.719 3.030 20 10 BGCDLO CC[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1O ZINC000292859569 171024847 /nfs/dbraw/zinc/02/48/47/171024847.db2.gz VEOAOTGRQXZSDW-SNVBAGLBSA-N 1 2 225.719 3.030 20 10 BGCDLO CC[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000292859569 171024844 /nfs/dbraw/zinc/02/48/44/171024844.db2.gz VEOAOTGRQXZSDW-SNVBAGLBSA-N 1 2 225.719 3.030 20 10 BGCDLO CC1([NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000293554302 168062355 /nfs/dbraw/zinc/06/23/55/168062355.db2.gz HIXTXFLCLXVTIS-UHFFFAOYSA-N 1 2 243.709 3.217 20 10 BGCDLO CC1CC([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000293596857 168147209 /nfs/dbraw/zinc/14/72/09/168147209.db2.gz KTQQGERPUMQDFT-UHFFFAOYSA-N 1 2 243.709 3.073 20 10 BGCDLO CC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293657244 398116720 /nfs/dbraw/zinc/11/67/20/398116720.db2.gz PGOFHRAJROCPEM-UHFFFAOYSA-N 1 2 231.698 3.073 20 10 BGCDLO CC(C)C1([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000293775888 384047418 /nfs/dbraw/zinc/04/74/18/384047418.db2.gz YXAOJNXEZRSALJ-UHFFFAOYSA-N 1 2 239.746 3.324 20 10 BGCDLO CC(F)(F)CC[NH2+]Cc1cccc(Cl)c1O ZINC000294254548 388397996 /nfs/dbraw/zinc/39/79/96/388397996.db2.gz QIKSBUNKXWOFMW-UHFFFAOYSA-N 1 2 249.688 3.181 20 10 BGCDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000294293739 385833313 /nfs/dbraw/zinc/83/33/13/385833313.db2.gz PMPZUCKKQDWADD-SSDOTTSWSA-N 1 2 243.709 3.073 20 10 BGCDLO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000294293746 385833330 /nfs/dbraw/zinc/83/33/30/385833330.db2.gz PMPZUCKKQDWADD-ZETCQYMHSA-N 1 2 243.709 3.073 20 10 BGCDLO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294454155 170753297 /nfs/dbraw/zinc/75/32/97/170753297.db2.gz YORPSAOOVBCTEK-SSDOTTSWSA-N 1 2 231.698 3.073 20 10 BGCDLO CC[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294454158 171343360 /nfs/dbraw/zinc/34/33/60/171343360.db2.gz YORPSAOOVBCTEK-ZETCQYMHSA-N 1 2 231.698 3.073 20 10 BGCDLO CC/C=C/C[NH2+]Cc1cccc(Cl)c1O ZINC000294732239 385155689 /nfs/dbraw/zinc/15/56/89/385155689.db2.gz DKFHFAGTOSURCS-ONEGZZNKSA-N 1 2 225.719 3.101 20 10 BGCDLO CCC1([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000294936228 388406511 /nfs/dbraw/zinc/40/65/11/388406511.db2.gz ZTYQCXOTDIKMSY-UHFFFAOYSA-N 1 2 225.719 3.078 20 10 BGCDLO CCC1([NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000296395617 386170695 /nfs/dbraw/zinc/17/06/95/386170695.db2.gz KGPHVYSIIZUDKQ-MRVPVSSYSA-N 1 2 241.281 3.264 20 10 BGCDLO CCC1([NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000296395619 386169677 /nfs/dbraw/zinc/16/96/77/386169677.db2.gz KGPHVYSIIZUDKQ-QMMMGPOBSA-N 1 2 241.281 3.264 20 10 BGCDLO CC/C=C/C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000296583739 353825459 /nfs/dbraw/zinc/82/54/59/353825459.db2.gz UNEFYEXSUWKRGX-MOVJSRMASA-N 1 2 241.281 3.287 20 10 BGCDLO CC/C=C/C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000296583742 353825378 /nfs/dbraw/zinc/82/53/78/353825378.db2.gz UNEFYEXSUWKRGX-XNPJLODASA-N 1 2 241.281 3.287 20 10 BGCDLO Cc1ccc(N[C@@H]2CCc3cccc(O)c32)c[nH+]1 ZINC000296926304 364786921 /nfs/dbraw/zinc/78/69/21/364786921.db2.gz PUJLIBURZWNVLP-CYBMUJFWSA-N 1 2 240.306 3.195 20 10 BGCDLO Cc1ccc(N[C@H]2CCc3cccc(O)c32)c[nH+]1 ZINC000296926308 343986166 /nfs/dbraw/zinc/98/61/66/343986166.db2.gz PUJLIBURZWNVLP-ZDUSSCGKSA-N 1 2 240.306 3.195 20 10 BGCDLO C[C@@H](Nc1cccc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302031130 386898409 /nfs/dbraw/zinc/89/84/09/386898409.db2.gz SCHUNAZNLPVITM-GFCCVEGCSA-N 1 2 241.338 3.321 20 10 BGCDLO C[C@H](Nc1cccc[nH+]1)c1ccc(N(C)C)cc1 ZINC000302031131 386899640 /nfs/dbraw/zinc/89/96/40/386899640.db2.gz SCHUNAZNLPVITM-LBPRGKRZSA-N 1 2 241.338 3.321 20 10 BGCDLO CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309195441 632758389 /nfs/dbraw/zinc/75/83/89/632758389.db2.gz QLNUDRFVOGWMHX-SSDOTTSWSA-N 1 2 231.698 3.073 20 10 BGCDLO CC[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309195442 632757947 /nfs/dbraw/zinc/75/79/47/632757947.db2.gz QLNUDRFVOGWMHX-ZETCQYMHSA-N 1 2 231.698 3.073 20 10 BGCDLO CC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000309733743 633233541 /nfs/dbraw/zinc/23/35/41/633233541.db2.gz BUEJZNPPUXEMGN-UHFFFAOYSA-N 1 2 243.709 3.074 20 10 BGCDLO CC1(C)C[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309815710 633779090 /nfs/dbraw/zinc/77/90/90/633779090.db2.gz VHUOFMGJYIMXCT-JTQLQIEISA-N 1 2 243.709 3.073 20 10 BGCDLO C[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309823413 633783465 /nfs/dbraw/zinc/78/34/65/633783465.db2.gz WWQUQVZDWBYTQP-CPCISQLKSA-N 1 2 243.709 3.073 20 10 BGCDLO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309823414 633784269 /nfs/dbraw/zinc/78/42/69/633784269.db2.gz WWQUQVZDWBYTQP-HQJQHLMTSA-N 1 2 243.709 3.073 20 10 BGCDLO C[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309823416 632673884 /nfs/dbraw/zinc/67/38/84/632673884.db2.gz WWQUQVZDWBYTQP-RDDDGLTNSA-N 1 2 243.709 3.073 20 10 BGCDLO C[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309823417 633783372 /nfs/dbraw/zinc/78/33/72/633783372.db2.gz WWQUQVZDWBYTQP-WRWORJQWSA-N 1 2 243.709 3.073 20 10 BGCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000309833043 634020387 /nfs/dbraw/zinc/02/03/87/634020387.db2.gz ZDVQGHRJFPXTEY-SSDOTTSWSA-N 1 2 243.709 3.073 20 10 BGCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000309833044 633816344 /nfs/dbraw/zinc/81/63/44/633816344.db2.gz ZDVQGHRJFPXTEY-ZETCQYMHSA-N 1 2 243.709 3.073 20 10 BGCDLO CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000324392188 641793319 /nfs/dbraw/zinc/79/33/19/641793319.db2.gz BANKDWJYJVJWQS-GFCCVEGCSA-N 1 2 239.746 3.324 20 10 BGCDLO CC[C@H]([NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000324392192 641792852 /nfs/dbraw/zinc/79/28/52/641792852.db2.gz BANKDWJYJVJWQS-LBPRGKRZSA-N 1 2 239.746 3.324 20 10 BGCDLO CCC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000379976962 712643669 /nfs/dbraw/zinc/64/36/69/712643669.db2.gz FAJAUGUSDBYSAS-LLVKDONJSA-N 1 2 227.735 3.496 20 10 BGCDLO CCC[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000379976964 712643691 /nfs/dbraw/zinc/64/36/91/712643691.db2.gz FAJAUGUSDBYSAS-NSHDSACASA-N 1 2 227.735 3.496 20 10 BGCDLO CC(C)([NH2+]Cc1cc(Cl)ccc1O)C(F)F ZINC000381158096 710605602 /nfs/dbraw/zinc/60/56/02/710605602.db2.gz QQUISRYHBCVUOJ-UHFFFAOYSA-N 1 2 249.688 3.179 20 10 BGCDLO CCC(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000381354520 710626470 /nfs/dbraw/zinc/62/64/70/710626470.db2.gz CQKNJUYBHCFEEN-UHFFFAOYSA-N 1 2 245.725 3.463 20 10 BGCDLO CC[C@@H]([NH2+]CCCF)c1cccc(Cl)c1O ZINC000381395697 710632322 /nfs/dbraw/zinc/63/23/22/710632322.db2.gz POAKXYLDUSHYRZ-LLVKDONJSA-N 1 2 245.725 3.446 20 10 BGCDLO CC[C@H]([NH2+]CCCF)c1cccc(Cl)c1O ZINC000381395698 710631381 /nfs/dbraw/zinc/63/13/81/710631381.db2.gz POAKXYLDUSHYRZ-NSHDSACASA-N 1 2 245.725 3.446 20 10 BGCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C1(C)CC1 ZINC000381465782 710641080 /nfs/dbraw/zinc/64/10/80/710641080.db2.gz LEBATASFRWIKNS-SECBINFHSA-N 1 2 239.746 3.324 20 10 BGCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)C1(C)CC1 ZINC000381465783 710640895 /nfs/dbraw/zinc/64/08/95/710640895.db2.gz LEBATASFRWIKNS-VIFPVBQESA-N 1 2 239.746 3.324 20 10 BGCDLO CC(C)=CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000381468586 710641102 /nfs/dbraw/zinc/64/11/02/710641102.db2.gz LVPINYPNSIPCLW-UHFFFAOYSA-N 1 2 243.709 3.241 20 10 BGCDLO Oc1c(Cl)cccc1C[NH2+]C1(C2CC2)CC1 ZINC000381556978 710655069 /nfs/dbraw/zinc/65/50/69/710655069.db2.gz PMTQJWWREMUOLG-UHFFFAOYSA-N 1 2 237.730 3.078 20 10 BGCDLO C[C@@H]([NH2+]CC(C)(F)F)c1cc(Cl)ccc1O ZINC000382171166 710803879 /nfs/dbraw/zinc/80/38/79/710803879.db2.gz WKMKGGDMDAKECY-SSDOTTSWSA-N 1 2 249.688 3.351 20 10 BGCDLO C[C@H]([NH2+]CC(C)(F)F)c1cc(Cl)ccc1O ZINC000382171167 710804606 /nfs/dbraw/zinc/80/46/06/710804606.db2.gz WKMKGGDMDAKECY-ZETCQYMHSA-N 1 2 249.688 3.351 20 10 BGCDLO CC[C@@H]1C[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000387990017 711050589 /nfs/dbraw/zinc/05/05/89/711050589.db2.gz JZPMLNUVNBHGIJ-KOLCDFICSA-N 1 2 239.746 3.181 20 10 BGCDLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccc(N(C)C)cc1 ZINC000389957591 711101023 /nfs/dbraw/zinc/10/10/23/711101023.db2.gz FOOBOBHZTIFNNW-NXEZZACHSA-N 1 2 242.313 3.057 20 10 BGCDLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccc(N(C)C)cc1 ZINC000389957595 711101087 /nfs/dbraw/zinc/10/10/87/711101087.db2.gz FOOBOBHZTIFNNW-UWVGGRQHSA-N 1 2 242.313 3.057 20 10 BGCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(F)F ZINC000389957598 711100714 /nfs/dbraw/zinc/10/07/14/711100714.db2.gz FOOBOBHZTIFNNW-VHSXEESVSA-N 1 2 242.313 3.057 20 10 BGCDLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc(N(C)C)cc1 ZINC000389957600 711101019 /nfs/dbraw/zinc/10/10/19/711101019.db2.gz FOOBOBHZTIFNNW-ZJUUUORDSA-N 1 2 242.313 3.057 20 10 BGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCCCF ZINC000393740071 710671732 /nfs/dbraw/zinc/67/17/32/710671732.db2.gz GGFWBXLGPIVGII-UHFFFAOYSA-N 1 2 249.688 3.024 20 10 BGCDLO CC(C)=CCC[NH2+]Cc1cccc(Cl)c1O ZINC000393819783 711708595 /nfs/dbraw/zinc/70/85/95/711708595.db2.gz JNQWVEOHLSOHQU-UHFFFAOYSA-N 1 2 239.746 3.492 20 10 BGCDLO CC1(C)CC([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000395180527 711205430 /nfs/dbraw/zinc/20/54/30/711205430.db2.gz NCBHFPXVIMFIRF-UHFFFAOYSA-N 1 2 239.746 3.324 20 10 BGCDLO Oc1c(Cl)cccc1C[NH+]1C2CCC1CC2 ZINC000398864381 711415779 /nfs/dbraw/zinc/41/57/79/711415779.db2.gz BIGWUQMMCFRIQM-UHFFFAOYSA-N 1 2 237.730 3.172 20 10 BGCDLO Oc1c(Cl)cccc1C[NH2+]CC1CC=CC1 ZINC000529638832 324368911 /nfs/dbraw/zinc/36/89/11/324368911.db2.gz CEMWRRGQNWBDAF-UHFFFAOYSA-N 1 2 237.730 3.101 20 10 BGCDLO COc1ccc2c(c1)CCC[N@@H+]2CCC(C)C ZINC000584650721 358305060 /nfs/dbraw/zinc/30/50/60/358305060.db2.gz VODKYSLLMNTKRQ-UHFFFAOYSA-N 1 2 233.355 3.494 20 10 BGCDLO COc1ccc2c(c1)CCC[N@H+]2CCC(C)C ZINC000584650721 358305059 /nfs/dbraw/zinc/30/50/59/358305059.db2.gz VODKYSLLMNTKRQ-UHFFFAOYSA-N 1 2 233.355 3.494 20 10 BGCDLO CCC(F)(F)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000700076031 711985466 /nfs/dbraw/zinc/98/54/66/711985466.db2.gz ZAOJHIWQCPBWTE-UHFFFAOYSA-N 1 2 243.297 3.139 20 10 BGCDLO CCC(F)(F)C[NH2+]Cc1c(O)cccc1Cl ZINC000700228525 711988243 /nfs/dbraw/zinc/98/82/43/711988243.db2.gz HSWMENCJJFIUFA-UHFFFAOYSA-N 1 2 249.688 3.181 20 10 BGCDLO CC(C)(F)CC[NH2+]Cc1cccc(Cl)c1O ZINC000700600436 712000388 /nfs/dbraw/zinc/00/03/88/712000388.db2.gz VWBYPBIJFKECSN-UHFFFAOYSA-N 1 2 245.725 3.273 20 10 BGCDLO CC1(C)C[C@@]1(C)[NH2+]Cc1cccc(Cl)c1O ZINC000702022192 712036515 /nfs/dbraw/zinc/03/65/15/712036515.db2.gz GUZJSTDZZDGIDH-CYBMUJFWSA-N 1 2 239.746 3.324 20 10 BGCDLO CC1(C)C[C@]1(C)[NH2+]Cc1cccc(Cl)c1O ZINC000702022195 712036506 /nfs/dbraw/zinc/03/65/06/712036506.db2.gz GUZJSTDZZDGIDH-ZDUSSCGKSA-N 1 2 239.746 3.324 20 10 BGCDLO CC1([NH2+]Cc2cccc(Cl)c2O)CC=CC1 ZINC000702117368 712039397 /nfs/dbraw/zinc/03/93/97/712039397.db2.gz ZZMHCGFSVZLTSW-UHFFFAOYSA-N 1 2 237.730 3.244 20 10 BGCDLO Oc1c(Cl)cccc1C[NH2+]CC1=CCCC1 ZINC000702376170 712049068 /nfs/dbraw/zinc/04/90/68/712049068.db2.gz YXQZKCLJVTXYBF-UHFFFAOYSA-N 1 2 237.730 3.246 20 10 BGCDLO CC1(C)CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000703481043 712076662 /nfs/dbraw/zinc/07/66/62/712076662.db2.gz DIWGKLOFARVODN-UHFFFAOYSA-N 1 2 241.281 3.045 20 10 BGCDLO CC1(C)CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000703481043 712076658 /nfs/dbraw/zinc/07/66/58/712076658.db2.gz DIWGKLOFARVODN-UHFFFAOYSA-N 1 2 241.281 3.045 20 10 BGCDLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000703503766 712077521 /nfs/dbraw/zinc/07/75/21/712077521.db2.gz VBYBWQYDOHXOOA-DTORHVGOSA-N 1 2 241.281 3.043 20 10 BGCDLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(F)c(F)c1O ZINC000703503766 712077519 /nfs/dbraw/zinc/07/75/19/712077519.db2.gz VBYBWQYDOHXOOA-DTORHVGOSA-N 1 2 241.281 3.043 20 10 BGCDLO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(F)c(F)c1O ZINC000703503767 712077595 /nfs/dbraw/zinc/07/75/95/712077595.db2.gz VBYBWQYDOHXOOA-IUCAKERBSA-N 1 2 241.281 3.043 20 10 BGCDLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(F)c(F)c1O ZINC000703503768 712077553 /nfs/dbraw/zinc/07/75/53/712077553.db2.gz VBYBWQYDOHXOOA-RKDXNWHRSA-N 1 2 241.281 3.043 20 10 BGCDLO C[N@@H+](Cc1cc(F)cc(F)c1O)C1CCCC1 ZINC000708412981 712193555 /nfs/dbraw/zinc/19/35/55/712193555.db2.gz KFQIXSZJUYHDIK-UHFFFAOYSA-N 1 2 241.281 3.045 20 10 BGCDLO C[N@H+](Cc1cc(F)cc(F)c1O)C1CCCC1 ZINC000708412981 712193551 /nfs/dbraw/zinc/19/35/51/712193551.db2.gz KFQIXSZJUYHDIK-UHFFFAOYSA-N 1 2 241.281 3.045 20 10 BGCDLO CCC1([NH2+]Cc2cc(F)cc(F)c2O)CCC1 ZINC000708441582 712195092 /nfs/dbraw/zinc/19/50/92/712195092.db2.gz JKYADGOJWVGNJU-UHFFFAOYSA-N 1 2 241.281 3.093 20 10 BGCDLO CC1([NH2+]Cc2cc(F)cc(F)c2O)CCCC1 ZINC000708446088 712194802 /nfs/dbraw/zinc/19/48/02/712194802.db2.gz ZIEQBAHUONPCJA-UHFFFAOYSA-N 1 2 241.281 3.093 20 10 BGCDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C(C)(C)C ZINC000708453205 712194755 /nfs/dbraw/zinc/19/47/55/712194755.db2.gz FQRPSFJPIQKMRO-MRVPVSSYSA-N 1 2 243.297 3.195 20 10 BGCDLO CC(C)=CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708465855 712194998 /nfs/dbraw/zinc/19/49/98/712194998.db2.gz KQHMWTWAZHQUHT-UHFFFAOYSA-N 1 2 241.281 3.116 20 10 BGCDLO CC(C)C(C)(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708514725 712211943 /nfs/dbraw/zinc/21/19/43/712211943.db2.gz KGUKTLBCTSEZPH-UHFFFAOYSA-N 1 2 243.297 3.195 20 10 BGCDLO CCOc1ccccc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000708950275 712204378 /nfs/dbraw/zinc/20/43/78/712204378.db2.gz CCGCLDOGOUHNLE-UHFFFAOYSA-N 1 2 245.326 3.037 20 10 BGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1C=CCC1 ZINC000711753409 712324683 /nfs/dbraw/zinc/32/46/83/712324683.db2.gz ZHAYGKKWXQLBIV-JTQLQIEISA-N 1 2 237.730 3.101 20 10 BGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711753417 712325103 /nfs/dbraw/zinc/32/51/03/712325103.db2.gz ZHAYGKKWXQLBIV-SNVBAGLBSA-N 1 2 237.730 3.101 20 10 BGCDLO COc1ccc([N@@H+](C)CCc2ccccc2)cc1 ZINC000738329997 585042917 /nfs/dbraw/zinc/04/29/17/585042917.db2.gz QKKDALZXGPUWSF-UHFFFAOYSA-N 1 2 241.334 3.374 20 10 BGCDLO COc1ccc([N@H+](C)CCc2ccccc2)cc1 ZINC000738329997 585042916 /nfs/dbraw/zinc/04/29/16/585042916.db2.gz QKKDALZXGPUWSF-UHFFFAOYSA-N 1 2 241.334 3.374 20 10 BGCDLO CCCC[N@@H+](C)c1ccc(OCC)cc1 ZINC000739924268 585086519 /nfs/dbraw/zinc/08/65/19/585086519.db2.gz PFVOQZZDLUZXER-UHFFFAOYSA-N 1 2 207.317 3.322 20 10 BGCDLO CCCC[N@H+](C)c1ccc(OCC)cc1 ZINC000739924268 585086518 /nfs/dbraw/zinc/08/65/18/585086518.db2.gz PFVOQZZDLUZXER-UHFFFAOYSA-N 1 2 207.317 3.322 20 10 BGCDLO CCOc1ccc([N@@H+](C)CC(C)C)cc1 ZINC000739924469 585086487 /nfs/dbraw/zinc/08/64/87/585086487.db2.gz SZNUICPGVACPBZ-UHFFFAOYSA-N 1 2 207.317 3.178 20 10 BGCDLO CCOc1ccc([N@H+](C)CC(C)C)cc1 ZINC000739924469 585086486 /nfs/dbraw/zinc/08/64/86/585086486.db2.gz SZNUICPGVACPBZ-UHFFFAOYSA-N 1 2 207.317 3.178 20 10 BGCDLO CCOc1ccc([N@@H+](C)CC2CCC2)cc1 ZINC000743850819 585140957 /nfs/dbraw/zinc/14/09/57/585140957.db2.gz BJKUZSYFCJNXIH-UHFFFAOYSA-N 1 2 219.328 3.322 20 10 BGCDLO CCOc1ccc([N@H+](C)CC2CCC2)cc1 ZINC000743850819 585140956 /nfs/dbraw/zinc/14/09/56/585140956.db2.gz BJKUZSYFCJNXIH-UHFFFAOYSA-N 1 2 219.328 3.322 20 10 BGCDLO CCOc1ccc([N@@H+](C)CCC2CC2)cc1 ZINC000743850886 585140613 /nfs/dbraw/zinc/14/06/13/585140613.db2.gz FOMVRFHNUFGUHZ-UHFFFAOYSA-N 1 2 219.328 3.322 20 10 BGCDLO CCOc1ccc([N@H+](C)CCC2CC2)cc1 ZINC000743850886 585140612 /nfs/dbraw/zinc/14/06/12/585140612.db2.gz FOMVRFHNUFGUHZ-UHFFFAOYSA-N 1 2 219.328 3.322 20 10 BGCDLO COc1ccc2c(c1)CCC[N@@H+]2CCC1CC1 ZINC000744384989 585149562 /nfs/dbraw/zinc/14/95/62/585149562.db2.gz QHDSDUGPTDJVLP-UHFFFAOYSA-N 1 2 231.339 3.248 20 10 BGCDLO COc1ccc2c(c1)CCC[N@H+]2CCC1CC1 ZINC000744384989 585149561 /nfs/dbraw/zinc/14/95/61/585149561.db2.gz QHDSDUGPTDJVLP-UHFFFAOYSA-N 1 2 231.339 3.248 20 10 BGCDLO COc1ccc2c(c1)CCC[N@@H+]2CC1CCC1 ZINC000744385322 585149589 /nfs/dbraw/zinc/14/95/89/585149589.db2.gz XQVBSOQBPKLPQX-UHFFFAOYSA-N 1 2 231.339 3.248 20 10 BGCDLO COc1ccc2c(c1)CCC[N@H+]2CC1CCC1 ZINC000744385322 585149588 /nfs/dbraw/zinc/14/95/88/585149588.db2.gz XQVBSOQBPKLPQX-UHFFFAOYSA-N 1 2 231.339 3.248 20 10 BGCDLO CC[N@@H+](CC1CCC1)c1ccc(OC)cc1 ZINC000744391599 585150110 /nfs/dbraw/zinc/15/01/10/585150110.db2.gz ATTPBDOKKFTKIM-UHFFFAOYSA-N 1 2 219.328 3.322 20 10 BGCDLO CC[N@H+](CC1CCC1)c1ccc(OC)cc1 ZINC000744391599 585150109 /nfs/dbraw/zinc/15/01/09/585150109.db2.gz ATTPBDOKKFTKIM-UHFFFAOYSA-N 1 2 219.328 3.322 20 10 BGCDLO CC[N@@H+](CCC1CC1)c1ccc(OC)cc1 ZINC000744391800 585149766 /nfs/dbraw/zinc/14/97/66/585149766.db2.gz KCFBNWUMHVWCHR-UHFFFAOYSA-N 1 2 219.328 3.322 20 10 BGCDLO CC[N@H+](CCC1CC1)c1ccc(OC)cc1 ZINC000744391800 585149765 /nfs/dbraw/zinc/14/97/65/585149765.db2.gz KCFBNWUMHVWCHR-UHFFFAOYSA-N 1 2 219.328 3.322 20 10 BGCDLO CC[N@@H+](CCCSC)c1ccc(OC)cc1 ZINC000744391801 585149987 /nfs/dbraw/zinc/14/99/87/585149987.db2.gz KFZCIBSYLYLAFY-UHFFFAOYSA-N 1 2 239.384 3.275 20 10 BGCDLO CC[N@H+](CCCSC)c1ccc(OC)cc1 ZINC000744391801 585149986 /nfs/dbraw/zinc/14/99/86/585149986.db2.gz KFZCIBSYLYLAFY-UHFFFAOYSA-N 1 2 239.384 3.275 20 10 BGCDLO CC[N@@H+](CC(C)C)c1ccc(OC)cc1 ZINC000746107430 585163137 /nfs/dbraw/zinc/16/31/37/585163137.db2.gz GJSGZCCOAZFCIH-UHFFFAOYSA-N 1 2 207.317 3.178 20 10 BGCDLO CC[N@H+](CC(C)C)c1ccc(OC)cc1 ZINC000746107430 585163136 /nfs/dbraw/zinc/16/31/36/585163136.db2.gz GJSGZCCOAZFCIH-UHFFFAOYSA-N 1 2 207.317 3.178 20 10 BGCDLO CCC[N@@H+](CC)c1ccc(OCC)cc1 ZINC000746158523 585164052 /nfs/dbraw/zinc/16/40/52/585164052.db2.gz ALDIFBZUQZUPIB-UHFFFAOYSA-N 1 2 207.317 3.322 20 10 BGCDLO CCC[N@H+](CC)c1ccc(OCC)cc1 ZINC000746158523 585164051 /nfs/dbraw/zinc/16/40/51/585164051.db2.gz ALDIFBZUQZUPIB-UHFFFAOYSA-N 1 2 207.317 3.322 20 10 BGCDLO C[C@@H]([NH2+]C1CCCC1)c1cc(F)cc(F)c1O ZINC000756340436 585317947 /nfs/dbraw/zinc/31/79/47/585317947.db2.gz FSPOTIXRDLLMRX-MRVPVSSYSA-N 1 2 241.281 3.264 20 10 BGCDLO C[C@H]([NH2+]C1CCCC1)c1cc(F)cc(F)c1O ZINC000756340524 585318144 /nfs/dbraw/zinc/31/81/44/585318144.db2.gz FSPOTIXRDLLMRX-QMMMGPOBSA-N 1 2 241.281 3.264 20 10 BGCDLO CC(C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756343458 585318026 /nfs/dbraw/zinc/31/80/26/585318026.db2.gz OLOKGFCXSDZFDY-SECBINFHSA-N 1 2 243.297 3.367 20 10 BGCDLO CC(C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756343460 585318023 /nfs/dbraw/zinc/31/80/23/585318023.db2.gz OLOKGFCXSDZFDY-VIFPVBQESA-N 1 2 243.297 3.367 20 10 BGCDLO C[C@@H]([NH2+][C@H](C)C1CC1)c1cc(F)cc(F)c1O ZINC000756365159 585318391 /nfs/dbraw/zinc/31/83/91/585318391.db2.gz ZOYUHRMMXGOQSO-HTQZYQBOSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc(F)cc(F)c1O ZINC000756365163 585318478 /nfs/dbraw/zinc/31/84/78/585318478.db2.gz ZOYUHRMMXGOQSO-JGVFFNPUSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)C1CC1 ZINC000756365165 585318473 /nfs/dbraw/zinc/31/84/73/585318473.db2.gz ZOYUHRMMXGOQSO-SFYZADRCSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@H]([NH2+][C@@H](C)C1CC1)c1cc(F)cc(F)c1O ZINC000756365168 585318227 /nfs/dbraw/zinc/31/82/27/585318227.db2.gz ZOYUHRMMXGOQSO-YUMQZZPRSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@@H]([NH2+]CC1CCC1)c1cc(F)cc(F)c1O ZINC000756477113 585319992 /nfs/dbraw/zinc/31/99/92/585319992.db2.gz WLQCBZLSVBLAAO-MRVPVSSYSA-N 1 2 241.281 3.121 20 10 BGCDLO C[C@H]([NH2+]CC1CCC1)c1cc(F)cc(F)c1O ZINC000756477114 585320055 /nfs/dbraw/zinc/32/00/55/585320055.db2.gz WLQCBZLSVBLAAO-QMMMGPOBSA-N 1 2 241.281 3.121 20 10 BGCDLO C[C@@H]([NH2+]CCC1CC1)c1cc(F)cc(F)c1O ZINC000756730429 712407209 /nfs/dbraw/zinc/40/72/09/712407209.db2.gz AKJMDDSVUSBOIZ-MRVPVSSYSA-N 1 2 241.281 3.121 20 10 BGCDLO C[C@H]([NH2+]CCC1CC1)c1cc(F)cc(F)c1O ZINC000756730432 712407240 /nfs/dbraw/zinc/40/72/40/712407240.db2.gz AKJMDDSVUSBOIZ-QMMMGPOBSA-N 1 2 241.281 3.121 20 10 BGCDLO C[C@@H]([NH2+]C1CC(C)C1)c1cc(F)cc(F)c1O ZINC000756735970 644629851 /nfs/dbraw/zinc/62/98/51/644629851.db2.gz JTYANCXPNZRVHY-CCNFQMFXSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@H]([NH2+]C1CC(C)C1)c1cc(F)cc(F)c1O ZINC000756735972 644629313 /nfs/dbraw/zinc/62/93/13/644629313.db2.gz JTYANCXPNZRVHY-ZCUBBSJVSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@@H]([NH2+]CC1(C)CC1)c1cc(F)cc(F)c1O ZINC000756737309 644629611 /nfs/dbraw/zinc/62/96/11/644629611.db2.gz SRFWNISTWWCDCB-MRVPVSSYSA-N 1 2 241.281 3.121 20 10 BGCDLO C[C@H]([NH2+]CC1(C)CC1)c1cc(F)cc(F)c1O ZINC000756737310 644629654 /nfs/dbraw/zinc/62/96/54/644629654.db2.gz SRFWNISTWWCDCB-QMMMGPOBSA-N 1 2 241.281 3.121 20 10 BGCDLO CC(C)Oc1ccc([N@@H+](C)CC2CC2)cc1 ZINC000759914124 585382640 /nfs/dbraw/zinc/38/26/40/585382640.db2.gz IEOBOZQVEDLENJ-UHFFFAOYSA-N 1 2 219.328 3.320 20 10 BGCDLO CC(C)Oc1ccc([N@H+](C)CC2CC2)cc1 ZINC000759914124 585382639 /nfs/dbraw/zinc/38/26/39/585382639.db2.gz IEOBOZQVEDLENJ-UHFFFAOYSA-N 1 2 219.328 3.320 20 10 BGCDLO CCC[N@@H+](C)c1ccc(OC(C)C)cc1 ZINC000759932283 585382746 /nfs/dbraw/zinc/38/27/46/585382746.db2.gz AMTWXQXBSBKLAA-UHFFFAOYSA-N 1 2 207.317 3.320 20 10 BGCDLO CCC[N@H+](C)c1ccc(OC(C)C)cc1 ZINC000759932283 585382745 /nfs/dbraw/zinc/38/27/45/585382745.db2.gz AMTWXQXBSBKLAA-UHFFFAOYSA-N 1 2 207.317 3.320 20 10 BGCDLO CCOc1ccc([N@@H+](CC)CC2CC2)cc1 ZINC000763518584 585449072 /nfs/dbraw/zinc/44/90/72/585449072.db2.gz ZIPZBNVBZVECRJ-UHFFFAOYSA-N 1 2 219.328 3.322 20 10 BGCDLO CCOc1ccc([N@H+](CC)CC2CC2)cc1 ZINC000763518584 585449071 /nfs/dbraw/zinc/44/90/71/585449071.db2.gz ZIPZBNVBZVECRJ-UHFFFAOYSA-N 1 2 219.328 3.322 20 10 BGCDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCF ZINC000766268563 585499756 /nfs/dbraw/zinc/49/97/56/585499756.db2.gz FHKZSCMDKROSQA-UHFFFAOYSA-N 1 2 237.318 3.198 20 10 BGCDLO COc1ccc2c(c1)CCCC[N@H+]2CCCF ZINC000766268563 585499755 /nfs/dbraw/zinc/49/97/55/585499755.db2.gz FHKZSCMDKROSQA-UHFFFAOYSA-N 1 2 237.318 3.198 20 10 BGCDLO CCOc1ccc([N@@H+](CC)CCCF)cc1 ZINC000766863825 585508775 /nfs/dbraw/zinc/50/87/75/585508775.db2.gz CYZMRXFYDVTFIX-UHFFFAOYSA-N 1 2 225.307 3.271 20 10 BGCDLO CCOc1ccc([N@H+](CC)CCCF)cc1 ZINC000766863825 585508774 /nfs/dbraw/zinc/50/87/74/585508774.db2.gz CYZMRXFYDVTFIX-UHFFFAOYSA-N 1 2 225.307 3.271 20 10 BGCDLO Cc1ccc(CSc2nccs2)c(C)[nH+]1 ZINC000775190388 585673369 /nfs/dbraw/zinc/67/33/69/585673369.db2.gz ICXVMXVMDGDYJI-UHFFFAOYSA-N 1 2 236.365 3.447 20 10 BGCDLO CCC[N@@H+](CC)Cc1cc(Cl)cc(F)c1O ZINC000775634031 585682132 /nfs/dbraw/zinc/68/21/32/585682132.db2.gz NZFSXBXRUCYEPX-UHFFFAOYSA-N 1 2 245.725 3.417 20 10 BGCDLO CCC[N@H+](CC)Cc1cc(Cl)cc(F)c1O ZINC000775634031 585682131 /nfs/dbraw/zinc/68/21/31/585682131.db2.gz NZFSXBXRUCYEPX-UHFFFAOYSA-N 1 2 245.725 3.417 20 10 BGCDLO CC[NH+](CC)Cc1cc(Cl)cc(F)c1O ZINC000775636573 585682099 /nfs/dbraw/zinc/68/20/99/585682099.db2.gz GGVLONUYGLKUOI-UHFFFAOYSA-N 1 2 231.698 3.027 20 10 BGCDLO CCCC[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775638273 585681863 /nfs/dbraw/zinc/68/18/63/585681863.db2.gz GULYXJNKNZIAGQ-UHFFFAOYSA-N 1 2 245.725 3.417 20 10 BGCDLO CCCC[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775638273 585681862 /nfs/dbraw/zinc/68/18/62/585681862.db2.gz GULYXJNKNZIAGQ-UHFFFAOYSA-N 1 2 245.725 3.417 20 10 BGCDLO CC(C)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775638532 585681898 /nfs/dbraw/zinc/68/18/98/585681898.db2.gz JYSVQFBLGQURPC-UHFFFAOYSA-N 1 2 231.698 3.025 20 10 BGCDLO CC(C)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775638532 585681897 /nfs/dbraw/zinc/68/18/97/585681897.db2.gz JYSVQFBLGQURPC-UHFFFAOYSA-N 1 2 231.698 3.025 20 10 BGCDLO CCC[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775647942 585682608 /nfs/dbraw/zinc/68/26/08/585682608.db2.gz IUHJVPFXYFPLND-UHFFFAOYSA-N 1 2 231.698 3.027 20 10 BGCDLO CCC[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775647942 585682607 /nfs/dbraw/zinc/68/26/07/585682607.db2.gz IUHJVPFXYFPLND-UHFFFAOYSA-N 1 2 231.698 3.027 20 10 BGCDLO CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C(C)C ZINC000775648088 585682308 /nfs/dbraw/zinc/68/23/08/585682308.db2.gz QLUVVTUAMALUIT-UHFFFAOYSA-N 1 2 245.725 3.415 20 10 BGCDLO CC[N@H+](Cc1cc(Cl)cc(F)c1O)C(C)C ZINC000775648088 585682307 /nfs/dbraw/zinc/68/23/07/585682307.db2.gz QLUVVTUAMALUIT-UHFFFAOYSA-N 1 2 245.725 3.415 20 10 BGCDLO CC(C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775649125 585682286 /nfs/dbraw/zinc/68/22/86/585682286.db2.gz LKQSPCFCPBDMKY-UHFFFAOYSA-N 1 2 245.725 3.273 20 10 BGCDLO CC(C)C[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775649125 585682285 /nfs/dbraw/zinc/68/22/85/585682285.db2.gz LKQSPCFCPBDMKY-UHFFFAOYSA-N 1 2 245.725 3.273 20 10 BGCDLO CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775651595 585682429 /nfs/dbraw/zinc/68/24/29/585682429.db2.gz PFXVAZUQPUAGQS-MRVPVSSYSA-N 1 2 245.725 3.415 20 10 BGCDLO CC[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775651595 585682428 /nfs/dbraw/zinc/68/24/28/585682428.db2.gz PFXVAZUQPUAGQS-MRVPVSSYSA-N 1 2 245.725 3.415 20 10 BGCDLO CC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775651596 585682413 /nfs/dbraw/zinc/68/24/13/585682413.db2.gz PFXVAZUQPUAGQS-QMMMGPOBSA-N 1 2 245.725 3.415 20 10 BGCDLO CC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775651596 585682412 /nfs/dbraw/zinc/68/24/12/585682412.db2.gz PFXVAZUQPUAGQS-QMMMGPOBSA-N 1 2 245.725 3.415 20 10 BGCDLO CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000775652506 585682277 /nfs/dbraw/zinc/68/22/77/585682277.db2.gz MEUXXFORYLGRKP-UHFFFAOYSA-N 1 2 243.709 3.169 20 10 BGCDLO CC[N@H+](Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000775652506 585682276 /nfs/dbraw/zinc/68/22/76/585682276.db2.gz MEUXXFORYLGRKP-UHFFFAOYSA-N 1 2 243.709 3.169 20 10 BGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)CC1CC1 ZINC000775659073 585682331 /nfs/dbraw/zinc/68/23/31/585682331.db2.gz VETGAIVNTZFJKN-UHFFFAOYSA-N 1 2 243.709 3.027 20 10 BGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)CC1CC1 ZINC000775659073 585682330 /nfs/dbraw/zinc/68/23/30/585682330.db2.gz VETGAIVNTZFJKN-UHFFFAOYSA-N 1 2 243.709 3.027 20 10 BGCDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775662324 585682725 /nfs/dbraw/zinc/68/27/25/585682725.db2.gz VJWXSDXCGRYRMM-MRVPVSSYSA-N 1 2 243.709 3.027 20 10 BGCDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775662324 585682724 /nfs/dbraw/zinc/68/27/24/585682724.db2.gz VJWXSDXCGRYRMM-MRVPVSSYSA-N 1 2 243.709 3.027 20 10 BGCDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775662325 585682700 /nfs/dbraw/zinc/68/27/00/585682700.db2.gz VJWXSDXCGRYRMM-QMMMGPOBSA-N 1 2 243.709 3.027 20 10 BGCDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775662325 585682699 /nfs/dbraw/zinc/68/26/99/585682699.db2.gz VJWXSDXCGRYRMM-QMMMGPOBSA-N 1 2 243.709 3.027 20 10 BGCDLO C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775692947 585683152 /nfs/dbraw/zinc/68/31/52/585683152.db2.gz QZAKJKSLPBBACU-MRVPVSSYSA-N 1 2 243.709 3.169 20 10 BGCDLO C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775692947 585683151 /nfs/dbraw/zinc/68/31/51/585683151.db2.gz QZAKJKSLPBBACU-MRVPVSSYSA-N 1 2 243.709 3.169 20 10 BGCDLO C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775692949 585683073 /nfs/dbraw/zinc/68/30/73/585683073.db2.gz QZAKJKSLPBBACU-QMMMGPOBSA-N 1 2 243.709 3.169 20 10 BGCDLO C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775692949 585683072 /nfs/dbraw/zinc/68/30/72/585683072.db2.gz QZAKJKSLPBBACU-QMMMGPOBSA-N 1 2 243.709 3.169 20 10 BGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C1CCC1 ZINC000775702606 585683310 /nfs/dbraw/zinc/68/33/10/585683310.db2.gz BNSNOBKXYCMXBN-UHFFFAOYSA-N 1 2 243.709 3.169 20 10 BGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C1CCC1 ZINC000775702606 585683309 /nfs/dbraw/zinc/68/33/09/585683309.db2.gz BNSNOBKXYCMXBN-UHFFFAOYSA-N 1 2 243.709 3.169 20 10 BGCDLO CC1(C)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000775703159 585683591 /nfs/dbraw/zinc/68/35/91/585683591.db2.gz LAPDIZLPYBACPJ-UHFFFAOYSA-N 1 2 225.719 3.030 20 10 BGCDLO CC1(C)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775703159 585683590 /nfs/dbraw/zinc/68/35/90/585683590.db2.gz LAPDIZLPYBACPJ-UHFFFAOYSA-N 1 2 225.719 3.030 20 10 BGCDLO CC1(C)CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775703528 585683393 /nfs/dbraw/zinc/68/33/93/585683393.db2.gz RUWQCBGCKKLMHD-UHFFFAOYSA-N 1 2 243.709 3.169 20 10 BGCDLO CC1(C)CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775703528 585683392 /nfs/dbraw/zinc/68/33/92/585683392.db2.gz RUWQCBGCKKLMHD-UHFFFAOYSA-N 1 2 243.709 3.169 20 10 BGCDLO CC[N@@H+](Cc1cccc(Cl)c1O)C1CCC1 ZINC000775712233 585683516 /nfs/dbraw/zinc/68/35/16/585683516.db2.gz NWDNPUDQXBXYEL-UHFFFAOYSA-N 1 2 239.746 3.420 20 10 BGCDLO CC[N@H+](Cc1cccc(Cl)c1O)C1CCC1 ZINC000775712233 585683515 /nfs/dbraw/zinc/68/35/15/585683515.db2.gz NWDNPUDQXBXYEL-UHFFFAOYSA-N 1 2 239.746 3.420 20 10 BGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCCCC1 ZINC000775746928 585683483 /nfs/dbraw/zinc/68/34/83/585683483.db2.gz IDQDEMHQWKVSJQ-UHFFFAOYSA-N 1 2 243.709 3.171 20 10 BGCDLO CC(C)[C@H]1CC[N@H+]1Cc1cccc(Cl)c1O ZINC000775763150 585684280 /nfs/dbraw/zinc/68/42/80/585684280.db2.gz DXBUZVFWNZSDGK-GFCCVEGCSA-N 1 2 239.746 3.276 20 10 BGCDLO CC(C)[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775763150 585684279 /nfs/dbraw/zinc/68/42/79/585684279.db2.gz DXBUZVFWNZSDGK-GFCCVEGCSA-N 1 2 239.746 3.276 20 10 BGCDLO CC(C)[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1O ZINC000775763153 585684093 /nfs/dbraw/zinc/68/40/93/585684093.db2.gz DXBUZVFWNZSDGK-LBPRGKRZSA-N 1 2 239.746 3.276 20 10 BGCDLO CC(C)[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775763153 585684092 /nfs/dbraw/zinc/68/40/92/585684092.db2.gz DXBUZVFWNZSDGK-LBPRGKRZSA-N 1 2 239.746 3.276 20 10 BGCDLO Cc1ccc[nH+]c1NCc1cccc(Cl)c1O ZINC000776023316 585689523 /nfs/dbraw/zinc/68/95/23/585689523.db2.gz FVODQPMXUJPGPO-UHFFFAOYSA-N 1 2 248.713 3.361 20 10 BGCDLO Cc1ccc(NCc2cccc(Cl)c2O)[nH+]c1 ZINC000776032798 585689427 /nfs/dbraw/zinc/68/94/27/585689427.db2.gz MHLMDVYDWFEBKI-UHFFFAOYSA-N 1 2 248.713 3.361 20 10 BGCDLO Oc1ccc(Cl)cc1C[N@H+]1CCC=C(F)C1 ZINC000780895579 585785760 /nfs/dbraw/zinc/78/57/60/585785760.db2.gz XSUZSIOGPYPZQS-UHFFFAOYSA-N 1 2 241.693 3.105 20 10 BGCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCC=C(F)C1 ZINC000780895579 585785759 /nfs/dbraw/zinc/78/57/59/585785759.db2.gz XSUZSIOGPYPZQS-UHFFFAOYSA-N 1 2 241.693 3.105 20 10 BGCDLO CC[N@@H+](CC[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000787261320 585904079 /nfs/dbraw/zinc/90/40/79/585904079.db2.gz LECQQFRCLIAGCZ-HNNXBMFYSA-N 1 2 249.354 3.091 20 10 BGCDLO CC[N@H+](CC[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000787261320 585904078 /nfs/dbraw/zinc/90/40/78/585904078.db2.gz LECQQFRCLIAGCZ-HNNXBMFYSA-N 1 2 249.354 3.091 20 10 BGCDLO CC[N@@H+](CC[C@H]1CCCO1)c1ccc(OC)cc1 ZINC000787261323 585903949 /nfs/dbraw/zinc/90/39/49/585903949.db2.gz LECQQFRCLIAGCZ-OAHLLOKOSA-N 1 2 249.354 3.091 20 10 BGCDLO CC[N@H+](CC[C@H]1CCCO1)c1ccc(OC)cc1 ZINC000787261323 585903948 /nfs/dbraw/zinc/90/39/48/585903948.db2.gz LECQQFRCLIAGCZ-OAHLLOKOSA-N 1 2 249.354 3.091 20 10 BGCDLO COc1ccc2c(c1)CCC[N@@H+]2CC1(C)CC1 ZINC000787269448 585904152 /nfs/dbraw/zinc/90/41/52/585904152.db2.gz CSXAULBQEYNNLJ-UHFFFAOYSA-N 1 2 231.339 3.248 20 10 BGCDLO COc1ccc2c(c1)CCC[N@H+]2CC1(C)CC1 ZINC000787269448 585904151 /nfs/dbraw/zinc/90/41/51/585904151.db2.gz CSXAULBQEYNNLJ-UHFFFAOYSA-N 1 2 231.339 3.248 20 10 BGCDLO CC(C)=CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000790695939 585967629 /nfs/dbraw/zinc/96/76/29/585967629.db2.gz DNSWEHDBMBUIDK-SECBINFHSA-N 1 2 241.281 3.287 20 10 BGCDLO CC(C)=CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000790695943 585967687 /nfs/dbraw/zinc/96/76/87/585967687.db2.gz DNSWEHDBMBUIDK-VIFPVBQESA-N 1 2 241.281 3.287 20 10 BGCDLO CC1(C)CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792164814 644792855 /nfs/dbraw/zinc/79/28/55/644792855.db2.gz FKYFTPIICLKFGE-UHFFFAOYSA-N 1 2 243.709 3.169 20 10 BGCDLO CC1(C)CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792164814 644792850 /nfs/dbraw/zinc/79/28/50/644792850.db2.gz FKYFTPIICLKFGE-UHFFFAOYSA-N 1 2 243.709 3.169 20 10 BGCDLO CC(C)C1C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000793191726 586013775 /nfs/dbraw/zinc/01/37/75/586013775.db2.gz LZYMJWFUZGNJQL-UHFFFAOYSA-N 1 2 239.746 3.133 20 10 BGCDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1c(O)ccc(Cl)c1F ZINC000793219983 586014409 /nfs/dbraw/zinc/01/44/09/586014409.db2.gz IVDUAYKBYCINJX-HTQZYQBOSA-N 1 2 243.709 3.167 20 10 BGCDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000793219985 586014442 /nfs/dbraw/zinc/01/44/42/586014442.db2.gz IVDUAYKBYCINJX-OCAPTIKFSA-N 1 2 243.709 3.167 20 10 BGCDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000793219985 586014441 /nfs/dbraw/zinc/01/44/41/586014441.db2.gz IVDUAYKBYCINJX-OCAPTIKFSA-N 1 2 243.709 3.167 20 10 BGCDLO C[C@H]1C[C@H](C)[NH+]1Cc1c(O)ccc(Cl)c1F ZINC000793219986 586014452 /nfs/dbraw/zinc/01/44/52/586014452.db2.gz IVDUAYKBYCINJX-YUMQZZPRSA-N 1 2 243.709 3.167 20 10 BGCDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(Cl)cc(F)c1O ZINC000793221010 586014428 /nfs/dbraw/zinc/01/44/28/586014428.db2.gz UGXXICHAIOOMDS-HTQZYQBOSA-N 1 2 243.709 3.167 20 10 BGCDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000793221012 586014587 /nfs/dbraw/zinc/01/45/87/586014587.db2.gz UGXXICHAIOOMDS-OCAPTIKFSA-N 1 2 243.709 3.167 20 10 BGCDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000793221012 586014586 /nfs/dbraw/zinc/01/45/86/586014586.db2.gz UGXXICHAIOOMDS-OCAPTIKFSA-N 1 2 243.709 3.167 20 10 BGCDLO C[C@H]1C[C@H](C)[NH+]1Cc1cc(Cl)cc(F)c1O ZINC000793221013 586014561 /nfs/dbraw/zinc/01/45/61/586014561.db2.gz UGXXICHAIOOMDS-YUMQZZPRSA-N 1 2 243.709 3.167 20 10 BGCDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cccc(Cl)c1O ZINC000793228492 586014656 /nfs/dbraw/zinc/01/46/56/586014656.db2.gz MWDDWAUDLNLERX-DTORHVGOSA-N 1 2 225.719 3.028 20 10 BGCDLO C[C@H]1C[C@H](C)[NH+]1Cc1cccc(Cl)c1O ZINC000793228495 586014804 /nfs/dbraw/zinc/01/48/04/586014804.db2.gz MWDDWAUDLNLERX-IUCAKERBSA-N 1 2 225.719 3.028 20 10 BGCDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cccc(Cl)c1O ZINC000793228497 586014888 /nfs/dbraw/zinc/01/48/88/586014888.db2.gz MWDDWAUDLNLERX-RKDXNWHRSA-N 1 2 225.719 3.028 20 10 BGCDLO COc1ccc(C[NH2+]C(C)(C)C(F)F)cc1C ZINC000793256664 586015373 /nfs/dbraw/zinc/01/53/73/586015373.db2.gz ZDRDSVZLRPUJGW-UHFFFAOYSA-N 1 2 243.297 3.137 20 10 BGCDLO COc1ccc2c(c1)CCC[N@@H+]2CC(C)C ZINC000793598710 586023833 /nfs/dbraw/zinc/02/38/33/586023833.db2.gz BFFIYFJWZQKTMP-UHFFFAOYSA-N 1 2 219.328 3.104 20 10 BGCDLO COc1ccc2c(c1)CCC[N@H+]2CC(C)C ZINC000793598710 586023832 /nfs/dbraw/zinc/02/38/32/586023832.db2.gz BFFIYFJWZQKTMP-UHFFFAOYSA-N 1 2 219.328 3.104 20 10 BGCDLO COc1ccc2c(c1)CCC[N@@H+]2CCCCF ZINC000795861833 586093740 /nfs/dbraw/zinc/09/37/40/586093740.db2.gz OQJJMEJWCQIKCC-UHFFFAOYSA-N 1 2 237.318 3.198 20 10 BGCDLO COc1ccc2c(c1)CCC[N@H+]2CCCCF ZINC000795861833 586093739 /nfs/dbraw/zinc/09/37/39/586093739.db2.gz OQJJMEJWCQIKCC-UHFFFAOYSA-N 1 2 237.318 3.198 20 10 BGCDLO CCOc1ccc([N@@H+](C)CCCCF)cc1 ZINC000795915838 586094601 /nfs/dbraw/zinc/09/46/01/586094601.db2.gz DPQSLEWSUVEJSA-UHFFFAOYSA-N 1 2 225.307 3.271 20 10 BGCDLO CCOc1ccc([N@H+](C)CCCCF)cc1 ZINC000795915838 586094600 /nfs/dbraw/zinc/09/46/00/586094600.db2.gz DPQSLEWSUVEJSA-UHFFFAOYSA-N 1 2 225.307 3.271 20 10 BGCDLO CC[N@@H+](CCCCF)c1ccc(OC)cc1 ZINC000795942626 586094870 /nfs/dbraw/zinc/09/48/70/586094870.db2.gz AMUATHPKTXASFU-UHFFFAOYSA-N 1 2 225.307 3.271 20 10 BGCDLO CC[N@H+](CCCCF)c1ccc(OC)cc1 ZINC000795942626 586094869 /nfs/dbraw/zinc/09/48/69/586094869.db2.gz AMUATHPKTXASFU-UHFFFAOYSA-N 1 2 225.307 3.271 20 10 BGCDLO COc1ccc([N@@H+](C)CCC(C)C)cc1 ZINC000796506269 586105443 /nfs/dbraw/zinc/10/54/43/586105443.db2.gz XTQMJWDJFDHVTG-UHFFFAOYSA-N 1 2 207.317 3.178 20 10 BGCDLO COc1ccc([N@H+](C)CCC(C)C)cc1 ZINC000796506269 586105442 /nfs/dbraw/zinc/10/54/42/586105442.db2.gz XTQMJWDJFDHVTG-UHFFFAOYSA-N 1 2 207.317 3.178 20 10 BGCDLO Cc1ccc(O)c([C@@H](C)[NH2+]C2(C(F)F)CC2)c1 ZINC000800502305 586223458 /nfs/dbraw/zinc/22/34/58/586223458.db2.gz RMSOHCQJRJFHEB-SECBINFHSA-N 1 2 241.281 3.149 20 10 BGCDLO Cc1ccc(O)c([C@H](C)[NH2+]C2(C(F)F)CC2)c1 ZINC000800502306 586223898 /nfs/dbraw/zinc/22/38/98/586223898.db2.gz RMSOHCQJRJFHEB-VIFPVBQESA-N 1 2 241.281 3.149 20 10 BGCDLO Cc1ccc([C@@H](C)[NH2+]C2(C(F)F)CC2)c(O)c1 ZINC000800502438 586223798 /nfs/dbraw/zinc/22/37/98/586223798.db2.gz SMJIDXGXPQDSMA-SECBINFHSA-N 1 2 241.281 3.149 20 10 BGCDLO Cc1ccc([C@H](C)[NH2+]C2(C(F)F)CC2)c(O)c1 ZINC000800502439 586223944 /nfs/dbraw/zinc/22/39/44/586223944.db2.gz SMJIDXGXPQDSMA-VIFPVBQESA-N 1 2 241.281 3.149 20 10 BGCDLO CC[C@H]([NH2+]C1(C(F)F)CC1)c1ccccc1O ZINC000800502861 586223475 /nfs/dbraw/zinc/22/34/75/586223475.db2.gz YMIQVCHSDYCXLU-JTQLQIEISA-N 1 2 241.281 3.231 20 10 BGCDLO CC[C@@H]([NH2+]C1(C(F)F)CC1)c1ccccc1O ZINC000800502862 586223441 /nfs/dbraw/zinc/22/34/41/586223441.db2.gz YMIQVCHSDYCXLU-SNVBAGLBSA-N 1 2 241.281 3.231 20 10 BGCDLO Oc1ccccc1C[N@H+]1CCCC[C@@H]1C(F)F ZINC000800533487 586224242 /nfs/dbraw/zinc/22/42/42/586224242.db2.gz PDWORBYXZANFPF-LLVKDONJSA-N 1 2 241.281 3.012 20 10 BGCDLO Oc1ccccc1C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000800533487 586224240 /nfs/dbraw/zinc/22/42/40/586224240.db2.gz PDWORBYXZANFPF-LLVKDONJSA-N 1 2 241.281 3.012 20 10 BGCDLO Oc1ccccc1C[N@H+]1CCCC[C@H]1C(F)F ZINC000800533488 586224314 /nfs/dbraw/zinc/22/43/14/586224314.db2.gz PDWORBYXZANFPF-NSHDSACASA-N 1 2 241.281 3.012 20 10 BGCDLO Oc1ccccc1C[N@@H+]1CCCC[C@H]1C(F)F ZINC000800533488 586224313 /nfs/dbraw/zinc/22/43/13/586224313.db2.gz PDWORBYXZANFPF-NSHDSACASA-N 1 2 241.281 3.012 20 10 BGCDLO CC1C[NH+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000802651590 586307527 /nfs/dbraw/zinc/30/75/27/586307527.db2.gz RMEYETFCMZQHLP-UHFFFAOYSA-N 1 2 246.137 3.151 20 10 BGCDLO Cc1cc[nH+]c(NCc2ccccc2O)c1Cl ZINC000804398285 586394599 /nfs/dbraw/zinc/39/45/99/586394599.db2.gz FKAXQKMOARLEGH-UHFFFAOYSA-N 1 2 248.713 3.361 20 10 BGCDLO C[C@@H]([NH2+]CCCCF)c1cc(F)cc(F)c1O ZINC000812736367 586583530 /nfs/dbraw/zinc/58/35/30/586583530.db2.gz LWYFBCGPMXUYSU-MRVPVSSYSA-N 1 2 247.260 3.071 20 10 BGCDLO C[C@H]([NH2+]CCCCF)c1cc(F)cc(F)c1O ZINC000812736369 586583498 /nfs/dbraw/zinc/58/34/98/586583498.db2.gz LWYFBCGPMXUYSU-QMMMGPOBSA-N 1 2 247.260 3.071 20 10 BGCDLO CC[C@@H]1CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000814178846 586616086 /nfs/dbraw/zinc/61/60/86/586616086.db2.gz FYWKQPRAOWXSBG-MRVPVSSYSA-N 1 2 243.709 3.169 20 10 BGCDLO CC[C@@H]1CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000814178846 586616085 /nfs/dbraw/zinc/61/60/85/586616085.db2.gz FYWKQPRAOWXSBG-MRVPVSSYSA-N 1 2 243.709 3.169 20 10 BGCDLO CC[C@H]1CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000814178847 586615825 /nfs/dbraw/zinc/61/58/25/586615825.db2.gz FYWKQPRAOWXSBG-QMMMGPOBSA-N 1 2 243.709 3.169 20 10 BGCDLO CC[C@H]1CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000814178847 586615824 /nfs/dbraw/zinc/61/58/24/586615824.db2.gz FYWKQPRAOWXSBG-QMMMGPOBSA-N 1 2 243.709 3.169 20 10 BGCDLO CC[C@H]1CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000814179039 586615787 /nfs/dbraw/zinc/61/57/87/586615787.db2.gz NVHIPZBLIWSWNZ-JTQLQIEISA-N 1 2 243.709 3.169 20 10 BGCDLO CC[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000814179039 586615786 /nfs/dbraw/zinc/61/57/86/586615786.db2.gz NVHIPZBLIWSWNZ-JTQLQIEISA-N 1 2 243.709 3.169 20 10 BGCDLO CC[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000814179040 586615820 /nfs/dbraw/zinc/61/58/20/586615820.db2.gz NVHIPZBLIWSWNZ-SNVBAGLBSA-N 1 2 243.709 3.169 20 10 BGCDLO CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000814179040 586615819 /nfs/dbraw/zinc/61/58/19/586615819.db2.gz NVHIPZBLIWSWNZ-SNVBAGLBSA-N 1 2 243.709 3.169 20 10 BGCDLO CC[C@H]([NH2+]CC(C)(F)F)c1ccc(F)cc1O ZINC000815645179 586690027 /nfs/dbraw/zinc/69/00/27/586690027.db2.gz XKPDHULMVWXUTK-JTQLQIEISA-N 1 2 247.260 3.227 20 10 BGCDLO CC[C@@H]([NH2+]CC(C)(F)F)c1ccc(F)cc1O ZINC000815645180 586690464 /nfs/dbraw/zinc/69/04/64/586690464.db2.gz XKPDHULMVWXUTK-SNVBAGLBSA-N 1 2 247.260 3.227 20 10 BGCDLO C[C@@H](F)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000815645542 586690057 /nfs/dbraw/zinc/69/00/57/586690057.db2.gz JBGBCCQDURPVRJ-HTQZYQBOSA-N 1 2 247.260 3.069 20 10 BGCDLO C[C@@H]([NH2+]CC[C@H](C)F)c1cc(F)cc(F)c1O ZINC000815645543 586690474 /nfs/dbraw/zinc/69/04/74/586690474.db2.gz JBGBCCQDURPVRJ-JGVFFNPUSA-N 1 2 247.260 3.069 20 10 BGCDLO C[C@@H](F)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000815645544 586690240 /nfs/dbraw/zinc/69/02/40/586690240.db2.gz JBGBCCQDURPVRJ-SFYZADRCSA-N 1 2 247.260 3.069 20 10 BGCDLO C[C@H](F)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000815645545 586690384 /nfs/dbraw/zinc/69/03/84/586690384.db2.gz JBGBCCQDURPVRJ-YUMQZZPRSA-N 1 2 247.260 3.069 20 10 BGCDLO CC(C)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816528505 586739417 /nfs/dbraw/zinc/73/94/17/586739417.db2.gz GBVPLGYJYAIQQS-UHFFFAOYSA-N 1 2 245.725 3.320 20 10 BGCDLO CCCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816528507 586739239 /nfs/dbraw/zinc/73/92/39/586739239.db2.gz GDQZBBZOGYGPSG-UHFFFAOYSA-N 1 2 245.725 3.465 20 10 BGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]C1CCCC1 ZINC000816528546 586739552 /nfs/dbraw/zinc/73/95/52/586739552.db2.gz HTJOUTFZBUVXHD-UHFFFAOYSA-N 1 2 243.709 3.217 20 10 BGCDLO CCC(CC)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816528871 586739189 /nfs/dbraw/zinc/73/91/89/586739189.db2.gz VFOYNWSJDGETCL-UHFFFAOYSA-N 1 2 245.725 3.463 20 10 BGCDLO CCC[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816529379 586739486 /nfs/dbraw/zinc/73/94/86/586739486.db2.gz QJTUUWMEOINWKC-MRVPVSSYSA-N 1 2 245.725 3.463 20 10 BGCDLO CCC[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816529380 586739593 /nfs/dbraw/zinc/73/95/93/586739593.db2.gz QJTUUWMEOINWKC-QMMMGPOBSA-N 1 2 245.725 3.463 20 10 BGCDLO CCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816531338 586739571 /nfs/dbraw/zinc/73/95/71/586739571.db2.gz OMGDJJVFAPSCMA-UHFFFAOYSA-N 1 2 231.698 3.074 20 10 BGCDLO CC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816539531 586738399 /nfs/dbraw/zinc/73/83/99/586738399.db2.gz KADUZNMGYFKSOQ-UHFFFAOYSA-N 1 2 245.725 3.320 20 10 BGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CC1CCC1 ZINC000816542183 586739648 /nfs/dbraw/zinc/73/96/48/586739648.db2.gz GBBLLIPMAWQZHZ-UHFFFAOYSA-N 1 2 243.709 3.074 20 10 BGCDLO CCC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816544241 586739623 /nfs/dbraw/zinc/73/96/23/586739623.db2.gz BRDYOJBNYQUILY-UHFFFAOYSA-N 1 2 245.725 3.463 20 10 BGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCC1CC1 ZINC000816555195 586740773 /nfs/dbraw/zinc/74/07/73/586740773.db2.gz WZBMYXFVTWRMHD-UHFFFAOYSA-N 1 2 243.709 3.074 20 10 BGCDLO CC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816555430 586740849 /nfs/dbraw/zinc/74/08/49/586740849.db2.gz DKWXYIONEMRLOR-UHFFFAOYSA-N 1 2 243.709 3.074 20 10 BGCDLO C[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816609748 586744023 /nfs/dbraw/zinc/74/40/23/586744023.db2.gz KWVFXVKCYROZBA-CPCISQLKSA-N 1 2 243.709 3.073 20 10 BGCDLO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816609749 586743790 /nfs/dbraw/zinc/74/37/90/586743790.db2.gz KWVFXVKCYROZBA-HQJQHLMTSA-N 1 2 243.709 3.073 20 10 BGCDLO C[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816609750 586743832 /nfs/dbraw/zinc/74/38/32/586743832.db2.gz KWVFXVKCYROZBA-RDDDGLTNSA-N 1 2 243.709 3.073 20 10 BGCDLO C[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816609751 586743880 /nfs/dbraw/zinc/74/38/80/586743880.db2.gz KWVFXVKCYROZBA-WRWORJQWSA-N 1 2 243.709 3.073 20 10 BGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCCF ZINC000816616098 586744306 /nfs/dbraw/zinc/74/43/06/586744306.db2.gz OBYIGKBYZFJGMO-UHFFFAOYSA-N 1 2 249.688 3.024 20 10 BGCDLO Cc1cc(Cl)cc(C[NH2+]CC(C)(F)F)c1O ZINC000816642775 586748310 /nfs/dbraw/zinc/74/83/10/586748310.db2.gz KKVBKMZWUSCEKX-UHFFFAOYSA-N 1 2 249.688 3.099 20 10 BGCDLO C[C@@H](F)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000816643330 586747935 /nfs/dbraw/zinc/74/79/35/586747935.db2.gz BJNUXGZZDITZMU-SSDOTTSWSA-N 1 2 249.688 3.022 20 10 BGCDLO C[C@H](F)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000816643331 586748129 /nfs/dbraw/zinc/74/81/29/586748129.db2.gz BJNUXGZZDITZMU-ZETCQYMHSA-N 1 2 249.688 3.022 20 10 BGCDLO C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)[C@@H]1C ZINC000816647030 643555802 /nfs/dbraw/zinc/55/58/02/643555802.db2.gz MNAPOEJTLRHBCE-HTQZYQBOSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)[C@@H]1C ZINC000816647030 643555795 /nfs/dbraw/zinc/55/57/95/643555795.db2.gz MNAPOEJTLRHBCE-HTQZYQBOSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000816647031 643553724 /nfs/dbraw/zinc/55/37/24/643553724.db2.gz MNAPOEJTLRHBCE-JGVFFNPUSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000816647031 643553719 /nfs/dbraw/zinc/55/37/19/643553719.db2.gz MNAPOEJTLRHBCE-JGVFFNPUSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)[C@H]1C ZINC000816647032 643552777 /nfs/dbraw/zinc/55/27/77/643552777.db2.gz MNAPOEJTLRHBCE-SFYZADRCSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)[C@H]1C ZINC000816647032 643552768 /nfs/dbraw/zinc/55/27/68/643552768.db2.gz MNAPOEJTLRHBCE-SFYZADRCSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)[C@H]1C ZINC000816647033 643554990 /nfs/dbraw/zinc/55/49/90/643554990.db2.gz MNAPOEJTLRHBCE-YUMQZZPRSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)[C@H]1C ZINC000816647033 643554989 /nfs/dbraw/zinc/55/49/89/643554989.db2.gz MNAPOEJTLRHBCE-YUMQZZPRSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)[C@@H]1C ZINC000816647277 643554277 /nfs/dbraw/zinc/55/42/77/643554277.db2.gz QJNUWMCKOJONRT-HTQZYQBOSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)[C@@H]1C ZINC000816647277 643554268 /nfs/dbraw/zinc/55/42/68/643554268.db2.gz QJNUWMCKOJONRT-HTQZYQBOSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000816647278 643555009 /nfs/dbraw/zinc/55/50/09/643555009.db2.gz QJNUWMCKOJONRT-JGVFFNPUSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000816647278 643555006 /nfs/dbraw/zinc/55/50/06/643555006.db2.gz QJNUWMCKOJONRT-JGVFFNPUSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)[C@H]1C ZINC000816647279 643553063 /nfs/dbraw/zinc/55/30/63/643553063.db2.gz QJNUWMCKOJONRT-SFYZADRCSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)[C@H]1C ZINC000816647279 643553054 /nfs/dbraw/zinc/55/30/54/643553054.db2.gz QJNUWMCKOJONRT-SFYZADRCSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)[C@H]1C ZINC000816647280 643554140 /nfs/dbraw/zinc/55/41/40/643554140.db2.gz QJNUWMCKOJONRT-YUMQZZPRSA-N 1 2 243.709 3.025 20 10 BGCDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)[C@H]1C ZINC000816647280 643554134 /nfs/dbraw/zinc/55/41/34/643554134.db2.gz QJNUWMCKOJONRT-YUMQZZPRSA-N 1 2 243.709 3.025 20 10 BGCDLO Cc1c[nH+]ccc1CCSc1nccs1 ZINC000817581660 586812565 /nfs/dbraw/zinc/81/25/65/586812565.db2.gz QZGPPLLGANSVCY-UHFFFAOYSA-N 1 2 236.365 3.181 20 10 BGCDLO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(F)F ZINC000824508569 587272354 /nfs/dbraw/zinc/27/23/54/587272354.db2.gz FDPSSSWNEBWBDC-LLVKDONJSA-N 1 2 243.297 3.137 20 10 BGCDLO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(F)F ZINC000824508570 587272302 /nfs/dbraw/zinc/27/23/02/587272302.db2.gz FDPSSSWNEBWBDC-NSHDSACASA-N 1 2 243.297 3.137 20 10 BGCDLO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(F)F ZINC000824508867 587272157 /nfs/dbraw/zinc/27/21/57/587272157.db2.gz HEXKCMKLQVXJPD-SECBINFHSA-N 1 2 249.688 3.179 20 10 BGCDLO CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(F)F ZINC000824508869 587272317 /nfs/dbraw/zinc/27/23/17/587272317.db2.gz HEXKCMKLQVXJPD-VIFPVBQESA-N 1 2 249.688 3.179 20 10 BGCDLO CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(F)F ZINC000824510724 587272829 /nfs/dbraw/zinc/27/28/29/587272829.db2.gz ZGCBVKOJVHSKQS-SECBINFHSA-N 1 2 249.688 3.179 20 10 BGCDLO CC[C@H]([NH2+]Cc1cccc(Cl)c1O)C(F)F ZINC000824510726 587272639 /nfs/dbraw/zinc/27/26/39/587272639.db2.gz ZGCBVKOJVHSKQS-VIFPVBQESA-N 1 2 249.688 3.179 20 10 BGCDLO CCC1([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000824620132 587279776 /nfs/dbraw/zinc/27/97/76/587279776.db2.gz CVLKTAWURNKLRM-UHFFFAOYSA-N 1 2 243.709 3.217 20 10 BGCDLO CCC1([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000824620554 587279641 /nfs/dbraw/zinc/27/96/41/587279641.db2.gz TZGHBLHIJFXESC-UHFFFAOYSA-N 1 2 243.709 3.217 20 10 BGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650774 587280651 /nfs/dbraw/zinc/28/06/51/587280651.db2.gz QPISMVSTIQXSLG-GFCCVEGCSA-N 1 2 237.730 3.030 20 10 BGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824650774 587280650 /nfs/dbraw/zinc/28/06/50/587280650.db2.gz QPISMVSTIQXSLG-GFCCVEGCSA-N 1 2 237.730 3.030 20 10 BGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650775 587281103 /nfs/dbraw/zinc/28/11/03/587281103.db2.gz QPISMVSTIQXSLG-LBPRGKRZSA-N 1 2 237.730 3.030 20 10 BGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824650775 587281102 /nfs/dbraw/zinc/28/11/02/587281102.db2.gz QPISMVSTIQXSLG-LBPRGKRZSA-N 1 2 237.730 3.030 20 10 BGCDLO CC/C=C\C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824702506 587283725 /nfs/dbraw/zinc/28/37/25/587283725.db2.gz MLAMBSLLSSQUER-ARJAWSKDSA-N 1 2 243.709 3.241 20 10 BGCDLO CC/C=C/C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824702507 587283491 /nfs/dbraw/zinc/28/34/91/587283491.db2.gz MLAMBSLLSSQUER-ONEGZZNKSA-N 1 2 243.709 3.241 20 10 BGCDLO Cc1cc(O)c(C[NH2+]CC(C)(F)F)cc1Cl ZINC000826016887 587348359 /nfs/dbraw/zinc/34/83/59/587348359.db2.gz NBEKMKRSSAHIHC-UHFFFAOYSA-N 1 2 249.688 3.099 20 10 BGCDLO COc1ccc([N@@H+](CCCF)CC2CC2)cc1 ZINC000831587828 587620123 /nfs/dbraw/zinc/62/01/23/587620123.db2.gz MQHCGHIXROENRB-UHFFFAOYSA-N 1 2 237.318 3.271 20 10 BGCDLO COc1ccc([N@H+](CCCF)CC2CC2)cc1 ZINC000831587828 587620121 /nfs/dbraw/zinc/62/01/21/587620121.db2.gz MQHCGHIXROENRB-UHFFFAOYSA-N 1 2 237.318 3.271 20 10 BGCDLO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)C(F)F ZINC000834826165 584915211 /nfs/dbraw/zinc/91/52/11/584915211.db2.gz DPCWJCGORJCXPZ-GMSGAONNSA-N 1 2 247.260 3.226 20 10 BGCDLO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(F)F ZINC000834826187 584915078 /nfs/dbraw/zinc/91/50/78/584915078.db2.gz DPCWJCGORJCXPZ-OIBJUYFYSA-N 1 2 247.260 3.226 20 10 BGCDLO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)C(F)F ZINC000834826193 584915105 /nfs/dbraw/zinc/91/51/05/584915105.db2.gz DPCWJCGORJCXPZ-XCBNKYQSSA-N 1 2 247.260 3.226 20 10 BGCDLO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(F)F ZINC000834826199 584915101 /nfs/dbraw/zinc/91/51/01/584915101.db2.gz DPCWJCGORJCXPZ-XVKPBYJWSA-N 1 2 247.260 3.226 20 10 BGCDLO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)C(F)F ZINC000834828784 587768280 /nfs/dbraw/zinc/76/82/80/587768280.db2.gz ZRIZQKFNKIMHDH-GMSGAONNSA-N 1 2 247.260 3.226 20 10 BGCDLO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C(F)F ZINC000834828785 584915203 /nfs/dbraw/zinc/91/52/03/584915203.db2.gz ZRIZQKFNKIMHDH-OIBJUYFYSA-N 1 2 247.260 3.226 20 10 BGCDLO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)C(F)F ZINC000834828786 584915180 /nfs/dbraw/zinc/91/51/80/584915180.db2.gz ZRIZQKFNKIMHDH-XCBNKYQSSA-N 1 2 247.260 3.226 20 10 BGCDLO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C(F)F ZINC000834828787 584915236 /nfs/dbraw/zinc/91/52/36/584915236.db2.gz ZRIZQKFNKIMHDH-XVKPBYJWSA-N 1 2 247.260 3.226 20 10 BGCDLO CCC1([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000834875943 587769156 /nfs/dbraw/zinc/76/91/56/587769156.db2.gz VZYPAVIQLJXXHM-MRVPVSSYSA-N 1 2 241.281 3.264 20 10 BGCDLO CCC1([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000834875944 587769069 /nfs/dbraw/zinc/76/90/69/587769069.db2.gz VZYPAVIQLJXXHM-QMMMGPOBSA-N 1 2 241.281 3.264 20 10 BGCDLO CC/C=C/C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000834877716 587769173 /nfs/dbraw/zinc/76/91/73/587769173.db2.gz RQBNHBXYHYDPMH-MOVJSRMASA-N 1 2 241.281 3.287 20 10 BGCDLO CC/C=C\C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000834877717 587768973 /nfs/dbraw/zinc/76/89/73/587768973.db2.gz RQBNHBXYHYDPMH-WBSSQXGSSA-N 1 2 241.281 3.287 20 10 BGCDLO CC/C=C/C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000834877719 587769025 /nfs/dbraw/zinc/76/90/25/587769025.db2.gz RQBNHBXYHYDPMH-XNPJLODASA-N 1 2 241.281 3.287 20 10 BGCDLO CC/C=C\C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000834877720 587769116 /nfs/dbraw/zinc/76/91/16/587769116.db2.gz RQBNHBXYHYDPMH-XRVBUDJMSA-N 1 2 241.281 3.287 20 10 BGCDLO CCC1C[NH+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000835074054 587780121 /nfs/dbraw/zinc/78/01/21/587780121.db2.gz GHPDGKJLTQXAMP-UHFFFAOYSA-N 1 2 243.709 3.027 20 10 BGCDLO CCC1C[NH+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000835075364 587780270 /nfs/dbraw/zinc/78/02/70/587780270.db2.gz RTXDIRNZYCGHIA-UHFFFAOYSA-N 1 2 243.709 3.027 20 10 BGCDLO CCC1(C)C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000839142951 585094953 /nfs/dbraw/zinc/09/49/53/585094953.db2.gz LLFNIDGZJXTSHR-UHFFFAOYSA-N 1 2 239.746 3.278 20 10 BGCDLO C[C@H]([NH2+][C@H]1CC1(C)C)c1cc(F)cc(F)c1O ZINC000840851831 587925423 /nfs/dbraw/zinc/92/54/23/587925423.db2.gz RTVKRVVKFVYTPS-CPCISQLKSA-N 1 2 241.281 3.120 20 10 BGCDLO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cc(F)cc(F)c1O ZINC000840851834 587925461 /nfs/dbraw/zinc/92/54/61/587925461.db2.gz RTVKRVVKFVYTPS-HQJQHLMTSA-N 1 2 241.281 3.120 20 10 BGCDLO Cc1cc(O)c(C[NH2+]CC(C)(F)F)c(Cl)c1 ZINC000840948651 583177379 /nfs/dbraw/zinc/17/73/79/583177379.db2.gz HIFBICGTGOGQNG-UHFFFAOYSA-N 1 2 249.688 3.099 20 10 BGCDLO CC1(C)C[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000840956328 587931791 /nfs/dbraw/zinc/93/17/91/587931791.db2.gz PAHSQQIPEHORAI-NSHDSACASA-N 1 2 243.709 3.073 20 10 BGCDLO C[C@@H]([NH2+]CC(C)(F)F)c1ccc(Cl)cc1O ZINC000841759398 587974534 /nfs/dbraw/zinc/97/45/34/587974534.db2.gz ZDVHARDOZYJDEF-SSDOTTSWSA-N 1 2 249.688 3.351 20 10 BGCDLO C[C@H]([NH2+]CC(C)(F)F)c1ccc(Cl)cc1O ZINC000841759400 587974421 /nfs/dbraw/zinc/97/44/21/587974421.db2.gz ZDVHARDOZYJDEF-ZETCQYMHSA-N 1 2 249.688 3.351 20 10 BGCDLO Cc1cccc(CCSc2nccs2)[nH+]1 ZINC000842548533 588041458 /nfs/dbraw/zinc/04/14/58/588041458.db2.gz YJVGQTDXCSSNAC-UHFFFAOYSA-N 1 2 236.365 3.181 20 10 BGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C(C)(C)C ZINC000843431114 588109391 /nfs/dbraw/zinc/10/93/91/588109391.db2.gz MPAXHPJVJFMRBZ-UHFFFAOYSA-N 1 2 245.725 3.415 20 10 BGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C(C)(C)C ZINC000843431114 588109389 /nfs/dbraw/zinc/10/93/89/588109389.db2.gz MPAXHPJVJFMRBZ-UHFFFAOYSA-N 1 2 245.725 3.415 20 10 BGCDLO COc1ccc([N@@H+](C)CCCCCF)cc1 ZINC000844355202 588187418 /nfs/dbraw/zinc/18/74/18/588187418.db2.gz MSNNVTIGPMPTSP-UHFFFAOYSA-N 1 2 225.307 3.271 20 10 BGCDLO COc1ccc([N@H+](C)CCCCCF)cc1 ZINC000844355202 588187417 /nfs/dbraw/zinc/18/74/17/588187417.db2.gz MSNNVTIGPMPTSP-UHFFFAOYSA-N 1 2 225.307 3.271 20 10 BGCDLO COc1ccc([N@@H+](C)CC2CC(F)(F)C2)cc1 ZINC000844355816 588186327 /nfs/dbraw/zinc/18/63/27/588186327.db2.gz UJZHILXXPYNEGY-UHFFFAOYSA-N 1 2 241.281 3.177 20 10 BGCDLO COc1ccc([N@H+](C)CC2CC(F)(F)C2)cc1 ZINC000844355816 588186326 /nfs/dbraw/zinc/18/63/26/588186326.db2.gz UJZHILXXPYNEGY-UHFFFAOYSA-N 1 2 241.281 3.177 20 10 BGCDLO CCc1cc[nH+]cc1NCc1cc(C)ccc1O ZINC000844704684 588214371 /nfs/dbraw/zinc/21/43/71/588214371.db2.gz CGOXSOONJMEERN-UHFFFAOYSA-N 1 2 242.322 3.270 20 10 BGCDLO C[C@@H]([NH2+][C@@H]1C=CCC1)c1cc(F)cc(F)c1O ZINC000850510320 582923507 /nfs/dbraw/zinc/92/35/07/582923507.db2.gz SPJIBIKGRXHWNC-PSASIEDQSA-N 1 2 239.265 3.040 20 10 BGCDLO C[C@@H]([NH2+][C@H]1C=CCC1)c1cc(F)cc(F)c1O ZINC000850510327 582923822 /nfs/dbraw/zinc/92/38/22/582923822.db2.gz SPJIBIKGRXHWNC-SCZZXKLOSA-N 1 2 239.265 3.040 20 10 BGCDLO C[C@H]([NH2+][C@@H]1C=CCC1)c1cc(F)cc(F)c1O ZINC000850510329 582923549 /nfs/dbraw/zinc/92/35/49/582923549.db2.gz SPJIBIKGRXHWNC-WCBMZHEXSA-N 1 2 239.265 3.040 20 10 BGCDLO C[C@H]([NH2+][C@H]1C=CCC1)c1cc(F)cc(F)c1O ZINC000850510334 582923444 /nfs/dbraw/zinc/92/34/44/582923444.db2.gz SPJIBIKGRXHWNC-WPRPVWTQSA-N 1 2 239.265 3.040 20 10 BGCDLO COc1ccc([N@@H+](C)CC2CC=CC2)cc1 ZINC000852208569 588672057 /nfs/dbraw/zinc/67/20/57/588672057.db2.gz HMXIBRWHIZPPDV-UHFFFAOYSA-N 1 2 217.312 3.098 20 10 BGCDLO COc1ccc([N@H+](C)CC2CC=CC2)cc1 ZINC000852208569 588672056 /nfs/dbraw/zinc/67/20/56/588672056.db2.gz HMXIBRWHIZPPDV-UHFFFAOYSA-N 1 2 217.312 3.098 20 10 BGCDLO CCC[N@@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000876575690 590217618 /nfs/dbraw/zinc/21/76/18/590217618.db2.gz PBLDFKLQUBBQNR-UHFFFAOYSA-N 1 2 241.281 3.045 20 10 BGCDLO CCC[N@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000876575690 590217617 /nfs/dbraw/zinc/21/76/17/590217617.db2.gz PBLDFKLQUBBQNR-UHFFFAOYSA-N 1 2 241.281 3.045 20 10 BGCDLO CC(C)[N@@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000876595252 584886355 /nfs/dbraw/zinc/88/63/55/584886355.db2.gz AQBDGHUUBKTMHV-UHFFFAOYSA-N 1 2 241.281 3.043 20 10 BGCDLO CC(C)[N@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000876595252 584886354 /nfs/dbraw/zinc/88/63/54/584886354.db2.gz AQBDGHUUBKTMHV-UHFFFAOYSA-N 1 2 241.281 3.043 20 10 BGCDLO CCC[N@H+](Cc1ccc(C)cc1O)CC(F)F ZINC000876656475 590226603 /nfs/dbraw/zinc/22/66/03/590226603.db2.gz BGVYXZWFNAASLK-UHFFFAOYSA-N 1 2 243.297 3.178 20 10 BGCDLO CCC[N@@H+](Cc1ccc(C)cc1O)CC(F)F ZINC000876656475 590226601 /nfs/dbraw/zinc/22/66/01/590226601.db2.gz BGVYXZWFNAASLK-UHFFFAOYSA-N 1 2 243.297 3.178 20 10 BGCDLO CCC[N@H+](Cc1c(C)cccc1O)CC(F)F ZINC000876657233 590226769 /nfs/dbraw/zinc/22/67/69/590226769.db2.gz LYHKTWWAVDLBGJ-UHFFFAOYSA-N 1 2 243.297 3.178 20 10 BGCDLO CCC[N@@H+](Cc1c(C)cccc1O)CC(F)F ZINC000876657233 590226768 /nfs/dbraw/zinc/22/67/68/590226768.db2.gz LYHKTWWAVDLBGJ-UHFFFAOYSA-N 1 2 243.297 3.178 20 10 BGCDLO CC[N@@H+](Cc1ccc(F)c(F)c1O)C1CCC1 ZINC000876756877 590238820 /nfs/dbraw/zinc/23/88/20/590238820.db2.gz YTWUQGIXZZPDAH-UHFFFAOYSA-N 1 2 241.281 3.045 20 10 BGCDLO CC[N@H+](Cc1ccc(F)c(F)c1O)C1CCC1 ZINC000876756877 590238819 /nfs/dbraw/zinc/23/88/19/590238819.db2.gz YTWUQGIXZZPDAH-UHFFFAOYSA-N 1 2 241.281 3.045 20 10 BGCDLO Cc1ccc(C[N@H+](CC(F)F)C(C)C)c(O)c1 ZINC000876811046 590245314 /nfs/dbraw/zinc/24/53/14/590245314.db2.gz GKXAZXIMJKSLGB-UHFFFAOYSA-N 1 2 243.297 3.176 20 10 BGCDLO Cc1ccc(C[N@@H+](CC(F)F)C(C)C)c(O)c1 ZINC000876811046 590245313 /nfs/dbraw/zinc/24/53/13/590245313.db2.gz GKXAZXIMJKSLGB-UHFFFAOYSA-N 1 2 243.297 3.176 20 10 BGCDLO Cc1ccc(CNc2ccc(C)[nH+]c2C)c(O)c1 ZINC000877115217 590287977 /nfs/dbraw/zinc/28/79/77/590287977.db2.gz FXIMSOBQTKGBLK-UHFFFAOYSA-N 1 2 242.322 3.325 20 10 BGCDLO CCc1cc[nH+]cc1NCc1ccc(C)cc1O ZINC000877613876 590373191 /nfs/dbraw/zinc/37/31/91/590373191.db2.gz RWSYHZYQRMMTGL-UHFFFAOYSA-N 1 2 242.322 3.270 20 10 BGCDLO CC(C)(F)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000877663619 590388839 /nfs/dbraw/zinc/38/88/39/590388839.db2.gz WDOIWFWEBOJZHM-UHFFFAOYSA-N 1 2 249.688 3.022 20 10 BGCDLO CC1(C)C[NH+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000877717762 590399758 /nfs/dbraw/zinc/39/97/58/590399758.db2.gz PUXXAOISQIEIIL-UHFFFAOYSA-N 1 2 243.709 3.027 20 10 BGCDLO COc1ccccc1NCc1[nH]cc(C(C)C)[nH+]1 ZINC000882905818 591472607 /nfs/dbraw/zinc/47/26/07/591472607.db2.gz VEOCIAHWMSDDCQ-UHFFFAOYSA-N 1 2 245.326 3.154 20 10 BGCDLO Cc1ccc(O)c(CNc2c[nH+]c(C)c(C)c2)c1 ZINC000883342282 591622310 /nfs/dbraw/zinc/62/23/10/591622310.db2.gz REMKDAVPBZMALO-UHFFFAOYSA-N 1 2 242.322 3.325 20 10 BGCDLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cc(Cl)ccc1O ZINC000883399604 591646059 /nfs/dbraw/zinc/64/60/59/591646059.db2.gz ROGJPUZOSAHFIK-BQBZGAKWSA-N 1 2 249.688 3.350 20 10 BGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(F)F ZINC000883399605 591645805 /nfs/dbraw/zinc/64/58/05/591645805.db2.gz ROGJPUZOSAHFIK-NKWVEPMBSA-N 1 2 249.688 3.350 20 10 BGCDLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cc(Cl)ccc1O ZINC000883399606 591646331 /nfs/dbraw/zinc/64/63/31/591646331.db2.gz ROGJPUZOSAHFIK-RNFRBKRXSA-N 1 2 249.688 3.350 20 10 BGCDLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cc(Cl)ccc1O ZINC000883399607 591646109 /nfs/dbraw/zinc/64/61/09/591646109.db2.gz ROGJPUZOSAHFIK-RQJHMYQMSA-N 1 2 249.688 3.350 20 10 BGCDLO CC[C@@H]([NH2+][C@H](C)C(F)F)c1ccc(F)cc1O ZINC000883400179 591648108 /nfs/dbraw/zinc/64/81/08/591648108.db2.gz GKIOWNKQORTXQZ-GMSGAONNSA-N 1 2 247.260 3.226 20 10 BGCDLO CC[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc(F)cc1O ZINC000883400180 591646999 /nfs/dbraw/zinc/64/69/99/591646999.db2.gz GKIOWNKQORTXQZ-OIBJUYFYSA-N 1 2 247.260 3.226 20 10 BGCDLO CC[C@H]([NH2+][C@H](C)C(F)F)c1ccc(F)cc1O ZINC000883400181 591647151 /nfs/dbraw/zinc/64/71/51/591647151.db2.gz GKIOWNKQORTXQZ-XCBNKYQSSA-N 1 2 247.260 3.226 20 10 BGCDLO CC[C@H]([NH2+][C@@H](C)C(F)F)c1ccc(F)cc1O ZINC000883400182 591647060 /nfs/dbraw/zinc/64/70/60/591647060.db2.gz GKIOWNKQORTXQZ-XVKPBYJWSA-N 1 2 247.260 3.226 20 10 BGCDLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccc(Cl)cc1O ZINC000883400300 591647326 /nfs/dbraw/zinc/64/73/26/591647326.db2.gz JBCIXVZISPFWKS-BQBZGAKWSA-N 1 2 249.688 3.350 20 10 BGCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(F)F ZINC000883400301 591648019 /nfs/dbraw/zinc/64/80/19/591648019.db2.gz JBCIXVZISPFWKS-NKWVEPMBSA-N 1 2 249.688 3.350 20 10 BGCDLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccc(Cl)cc1O ZINC000883400302 591647341 /nfs/dbraw/zinc/64/73/41/591647341.db2.gz JBCIXVZISPFWKS-RNFRBKRXSA-N 1 2 249.688 3.350 20 10 BGCDLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc(Cl)cc1O ZINC000883400303 591646956 /nfs/dbraw/zinc/64/69/56/591646956.db2.gz JBCIXVZISPFWKS-RQJHMYQMSA-N 1 2 249.688 3.350 20 10 BGCDLO CCC(F)(F)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886643298 592286927 /nfs/dbraw/zinc/28/69/27/592286927.db2.gz QKTVPDULCJCRAO-MRVPVSSYSA-N 1 2 247.260 3.227 20 10 BGCDLO CCC(F)(F)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886643299 592287159 /nfs/dbraw/zinc/28/71/59/592287159.db2.gz QKTVPDULCJCRAO-QMMMGPOBSA-N 1 2 247.260 3.227 20 10 BGCDLO CCC[N@@H+](Cc1cc(F)cc(F)c1O)C1CC1 ZINC000893938830 583253558 /nfs/dbraw/zinc/25/35/58/583253558.db2.gz BZVJBFPPEFBFJV-UHFFFAOYSA-N 1 2 241.281 3.045 20 10 BGCDLO CCC[N@H+](Cc1cc(F)cc(F)c1O)C1CC1 ZINC000893938830 583253557 /nfs/dbraw/zinc/25/35/57/583253557.db2.gz BZVJBFPPEFBFJV-UHFFFAOYSA-N 1 2 241.281 3.045 20 10 BGCDLO CC(C)[N@@H+](Cc1cc(F)cc(F)c1O)C1CC1 ZINC000893953618 583261353 /nfs/dbraw/zinc/26/13/53/583261353.db2.gz GWIRJWIFLYYJLX-UHFFFAOYSA-N 1 2 241.281 3.043 20 10 BGCDLO CC(C)[N@H+](Cc1cc(F)cc(F)c1O)C1CC1 ZINC000893953618 583261352 /nfs/dbraw/zinc/26/13/52/583261352.db2.gz GWIRJWIFLYYJLX-UHFFFAOYSA-N 1 2 241.281 3.043 20 10 BGCDLO CC[N@@H+](Cc1cc(F)cc(F)c1O)C1CCC1 ZINC000894040704 583284190 /nfs/dbraw/zinc/28/41/90/583284190.db2.gz VIDIEXZCWFLYIE-UHFFFAOYSA-N 1 2 241.281 3.045 20 10 BGCDLO CC[N@H+](Cc1cc(F)cc(F)c1O)C1CCC1 ZINC000894040704 583284188 /nfs/dbraw/zinc/28/41/88/583284188.db2.gz VIDIEXZCWFLYIE-UHFFFAOYSA-N 1 2 241.281 3.045 20 10 BGCDLO Cc1cccc(CNc2c[nH+]c(C)c(C)c2)c1O ZINC000895645092 583700579 /nfs/dbraw/zinc/70/05/79/583700579.db2.gz MDQPKGOKEMGNER-UHFFFAOYSA-N 1 2 242.322 3.325 20 10 BGCDLO Cc1cccc(O)c1CNc1c[nH+]c(C)c(C)c1 ZINC000895645401 583700346 /nfs/dbraw/zinc/70/03/46/583700346.db2.gz QHZGGLPBCMDJKX-UHFFFAOYSA-N 1 2 242.322 3.325 20 10 BGCDLO Cc1ccc(CNc2c[nH+]c(C)c(C)c2)c(O)c1 ZINC000895645669 583700564 /nfs/dbraw/zinc/70/05/64/583700564.db2.gz SIVQUJBUSKRSDK-UHFFFAOYSA-N 1 2 242.322 3.325 20 10 BGCDLO Cc1cc(O)c(C[NH2+][C@H](C)C(F)F)cc1Cl ZINC000895725927 636175674 /nfs/dbraw/zinc/17/56/74/636175674.db2.gz VRZNBFYUMAKTNH-SSDOTTSWSA-N 1 2 249.688 3.097 20 10 BGCDLO Cc1cc(O)c(C[NH2+][C@@H](C)C(F)F)cc1Cl ZINC000895725929 636175095 /nfs/dbraw/zinc/17/50/95/636175095.db2.gz VRZNBFYUMAKTNH-ZETCQYMHSA-N 1 2 249.688 3.097 20 10 BGCDLO CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000898219132 584093035 /nfs/dbraw/zinc/09/30/35/584093035.db2.gz VKNDTISWPPIULY-BXKDBHETSA-N 1 2 239.746 3.324 20 10 BGCDLO CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000898219133 584093150 /nfs/dbraw/zinc/09/31/50/584093150.db2.gz VKNDTISWPPIULY-CABZTGNLSA-N 1 2 239.746 3.324 20 10 BGCDLO CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000898219134 584093286 /nfs/dbraw/zinc/09/32/86/584093286.db2.gz VKNDTISWPPIULY-JOYOIKCWSA-N 1 2 239.746 3.324 20 10 BGCDLO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000898219135 584093369 /nfs/dbraw/zinc/09/33/69/584093369.db2.gz VKNDTISWPPIULY-SKDRFNHKSA-N 1 2 239.746 3.324 20 10 BGCDLO CCC[NH+](CCC)c1ccc2c(c1)CCO2 ZINC000915261307 641812848 /nfs/dbraw/zinc/81/28/48/641812848.db2.gz NJQMMPFSEAYXLR-UHFFFAOYSA-N 1 2 219.328 3.248 20 10 BGCDLO